Crystal structure

ABSTRACT

Structural coordinates obtainable by subjecting a crystal comprising a dimethylarginine dimethylaminohydrolase (DDAH) or a fragment thereof or an argininc deliminase (DI) or a fragment thercof to X-ray diffraction measurements and deducing the structural coordinales from the diffraction measurements arc used to identify, screen, characteristic, design or modify a chemical entity. The chemical entities so generated may be used in methods of Therapy or to identify the presence or absence of a DDAH or DI substrate.

FIELD OF THE INVENTION

The invention relates to a crystal of an enzyme and a method for makingthat crystal. The structural coordinates of the crystal may be used toidentify or design chemical entities which are modified enzymes or whichbind to the enzyme.

BACKGROUND OF THE INVENTION

N^(G)-Methylated derivatives of arginine within a wide range ofeukaryotic proteins have been known for many years, although theirfunction remains ill-defined. Methylation of arginine in proteins iscarried out by enzymes of the protein-arginine methyl transferase PRMT)family. Proteolysis of methyl-arginine-containing proteins releases freemethylarginine derivatives into the cytoplasm. Levels of methylargininesvary greatly between different tissues and elevated levels are found ina variety of pathological conditions and clinical disorders. Catabolismof two the asymmetrically methylated arginine derivativesN^(G),N^(G)-dimethyl-L-arginine (ADMA), and N^(G)-monomethyl-L-arginine(L-NMMA), to citrulline and mono- or di-methylamine is carried out bydimethylarginine dimethylaminohydrolase (DDAH, EC 3.5.3.18), which doesnot, however, hydrolyse symmetrical N^(G),N^(G′)-dimethyl-L-arginine(SDMA).

ADMA and L-NMMA (but not SDMA) are reversible inhibitors of all threeisoforms of nitric oxide synthase (NOS) and may act as endogenousregulators of NOS in vivo. Thus DDAH, which controls levels ofasymmetrically methylated arginine derivatives, may have therapeuticpotential through its ability to indirectly influence the activity ofNOS.

Two human DDAH isoforms have been identified—DDAH I and DDAH II and thisis the case with some other mammals. Both enzymes have restricted tissuedistributions which closely match either neuronal NOS or endothelial NOSrespectively, suggesting an isoform-specific mechanism for regulatingNOS activity via methylarginine. More recently microbial DDAH enzymeshave been identified (Santa Maria et al., 1999) and so far each specieshas only one isoform. Their functional role is likely to be differentfrom that in mammals, since bacteria lack NOS. Sequence comparisons havesuggested a similarity between human DDAH and arginine deiminase (DI, EC3.5.3.6), a microbial enzyme that converts arginine to citrulline andammonia.

SUMMARY OF THE INVENTION

We have determined the crystal structure of a bacterial DDAH fromPseudomonas auruginosa (PaDDAH).

According to the present invention there is thus provided use of thestructural coordinates obtainable by subjecting by subjecting a crystalcomprising a dimethylarginine dimethylaminohydrolase (DDAH) or afragment thereof or an arginine deiminase (DI) or a fragment thereof toX-ray diffraction measurements and deducing the structural coordinatesfrom the diffraction measurements, to identify, screen, characterise,design or modify a chemical entity.

The invention also provides:

-   -   a chemical entity generated by a use according to the invention;    -   a method for identifying, screening, characterising or designing        a chemical entity which is a modified DDAH or DI or binds to a        DDAH or DI, which method comprises comparing a structural model        of the DDAH or DI with a structural model for said chemical        entity, and thereby determining whether said chemical entity is        likely to be a modified DDAH or DI or bind to the DDAH or DI,        wherein said structural model of the DDAH is derived from        structural coordinates determined by subjecting to X-Ray        diffraction measurements a crystal comprising a DDAH or DI or a        fragment thereof;    -   a chemical entity identified by a method of the invention;    -   a method for treating a host suffering from a condition in which        abnormal nitric oxide metabolism is implicated or a bacterial        infection, which method comprises administering to the host a        therapeutically effective amount of a chemical entity of the        invention;    -   a method for identifying the presence or absence of an        asymmetricaliy methylated arginine derivative in a sample, which        method comprises:        -   (a) contacting the sample with a modified DDAH of the            invention; and        -   (b) determining whether the modified DDAH binds to an            asymmetrically methylated arginine derivative;    -   a crystal comprising a DDAH or a fragment thereof or a DI or a        fragment thereof;    -   a method for preparing a crystal, which method comprises forming        a crystal of a substance comprising a DDAH or a DI;    -   a DDAH or DI which is an inactive mutant; and    -   a machine readable data storage medium comprising a data storage        material encoded with machine readable data which when read by        an appropriate machine is capable of displaying a three        dimensional representation of a crystal of the invention.

BRIEF DESCRIPTION OF THE FIGURES

FIG. 1 shows the overall fold of DDAH; every tenth residue is numbered.

FIG. 2 shows a worm representation of the backbone of DDAH with thecatalytic residues indicated: Ser, (S, mutant from Cys); His (H) ; Glu(E) and the citrulline inhibitor (C).

DETAILED DESCRIPTION OF THE INVENTION

We have successfully crystallised a bacterial DDAH from Pseudomonasauruginosa (PaDDAH). This is the first crystallisation of a DDAH. Thishas allowed us to determine the crystal structure of PADDAH, revealingthat it belongs to a structural superfamily of arginine-modifyingenzymes which includes arginine:glycine amidinotransferase (AT, EC2.1.4.1) and arginine deiminase (DI, EC 3.5.3.6). The three-dimensionalstructure of PADDAH is set out in FIG. 1. We have further identifiedGlu114, His162 and Cys249 as residues that are implicated in the activesite. Site-directed mutagenesis of each of these residues producedenzymes that were inactive. A Cys:ser (C249S) mutant was used in thedetermination of crystal structures of a DDAH:substrate (ADMA) complexand a DDAH:product (citrulline) complex (FIG. 2). This allowedidentification of ligand-binding residues around the active site.

Our crystallisation studies have allowed us to solve the structuralcoordinates of a DDAH enzyme. The invention provides use of thestructure coordinates of an arginine modifying enzyme to identify,characterise, design or screen chemical entities. In particular, thechemical entities of interest are modified arginine-modifying enzymes orchemical entities which bind to an arginine-modifying enzyme. Particulararginine-modifying enzymes of interest are DDAHs and DIs.

Previously, it has not been possible to crystallise a DDAH or a DI. Forexample, attempts to crystallise mammalian DDAHs have not beensuccessful and over-expression of DI in bacterial cells lead to celldeath. We have now identified residues that when mutated result in aninactive PaDDAH. Those residues are conserved between PaDDAH and DI. Itis therefore now possible to produce inactive DI and therefore tosuccessfully over-express that enzyme. Thus, in the light of ourresults, crystallisation of DI is now possible for the first time. Inaddition, the similarities between bacterial and mammalian. DDAHs allowthe use of our bacterial data in the design of chemical entities for usein mammalian contexts.

The chemical entities of the invention have uses in for example,therapy, diagnosis, quantification of DDAH or DI substrateconcentrations and other investigative applications.

Typically, the structure coordinates used are obtainable by subjecting acrystal comprising a dimethylarginine dimethylaminohydrolase (DDAH) or afragment thereof or an arginine deiminase (DI) to X-ray diffractionmeasurements and deducing the structural coordinates from thediffraction measurements, to identify, screen, characterise, design ormodify a chemical entity.

The structural coordinates indicate the positions of individual atomswithin the crystal give an indication of the available space foradjusting the position of individual atoms when designing a chemicalentity.

The structure coordinates for native PADDAH are shown in Table II andthose for C249S+citrulline are shown in Table III. Those structurecoordinates are suitable for use according to the invention. Inaddition, structural coordinates obtainable by solving the datastatistics in Table I may be used.

The crystal subjected to X-ray diffraction methods comprises a DDAH or afragment thereof or a DI or a fragment thereof. The DDAH or DI may befrom any source. Thus, the DDAH or DI may be a bacterial DDAH, forexample one which originates from Pseudomonas aeruginosa, Strepyomycescoelicolor or Mycobacterium tuberculosis. Examples of bacterialarginine-modifying enzyme sequences are set out in Santa Maria et al.,1999, Mol. Microbiol. 33, 1278-1279.

Alternatively, a DDAH may be derived from a mammal, in which case theDDAH may be a DDAHI, for example human DDAHI or a DDAHII, for examplehuman DDAHII. Suitable human DDAH sequences are set out in Leiper etal., 1999, Biochem. J. 343, 209-214.

A fragment of a DDAH or DI may also be used. Typically, a suitablefragment will be up to 10 amino acids in length, up to 20 amino acids inlength, up to 50 amino acids in length, up to 100 amino acids in length,up to 200 amino acids in length, up to 300 amino acids in length, up to400 amino acids in length, up to 500 amino acids in length or up to theentire length of the DDAH or DI polypeptide.

A preferred fragment is one which comprises all the amino acids requiredto form an active site of the DDAH or DI under study. Other preferredfragments are those which form antigenic epitopes of the DDAH or DI inquestion.

The DDAH may be a modified form of an entire DDAH or DI or a modifiedform of a fragment thereof. For example, the DDAH or DI may be modifiedby insertion, deletion, N-terminal or C-terminal addition, orsubstitution of an amino acid by another amino acid. Those types ofmodifications may be combined to produce a modified DDAH or DI for usein the invention. Amino acid substitutions may be conservativesubstitutions. From 1, 2, 3, 5 or 10 to 20, 30 or 50 modifications maybe made in comparison to the corresponding wild-type DDAH or DIsequence. Thus, a DDAH or DI for use in the invention may be a mutantsequence. That is, it may have a polypeptide sequence which is differentfrom that of the corresponding wild-type sequence. Typically, whencrystallised, a DDAH or DI mutant or fragment thereof, will adopt asimilar three-dimensional structure to that adopted by the correspondingDDAH or DI or a fragment thereof.

A mutant may be an inactive DDAH or DI. An inactive DDAH or DI is onewhich shows less than 20% of the enzyme activity shown by thecorresponding wild-type enzyme, when the mutant and wild-type arecompared using the calorimetric assay described in Leiper et al., 1999(supra). Preferred, inactive enzymes are those which show less than 10%of the enzyme activity shown by the corresponding wild-type enzyme orpreferably substantially no enzyme activity.

Preferred inactive DDAHs or DIs are those which carry a mutation at anamino acid equivalent to E114, H162 or C249 of PaDDAH. Those residuesare directly involved in the reaction catalysed by PaDDAH. An equivalentamino acid is an amino acid in a DDAH derived from a species otherPseudomonas aeruginosa or a DI which occurs at an similar/correspondingposition to a particular amino acid in the P. aeruginosa sequence andfulfils approximately the same function as the amino acid it isequivalent to, for example it takes part in catalysis. Examples ofequivalent amino acids for a variety of arginine-modifying enzymes areset out in Table IV. For example, when compared to PADDAH, human DDAHshows conservation of the active site residues except that, in commonwith most species looked at, the catalytic Glu of PADDAH is Asp in thehuman sequence.

An equivalent amino acid will be readily identifiable by those skilledin the art, for example by carrying out sequence alignments. Computerprograms for carrying out sequence alignments are will known to thoseskilled in the art and include, for example BLAST and PSI-BLAST asdescribed in Altschul et al. (1997) Nucleic Acids Res. 25, 3389-3402.

A DDAH or DI for use in the invention may be chemically modified. Thus,particular amino acids can be labelled with a heavy metal, for examplemethionine residues may be labelled with selenium. A DDAH of DI for usein the invention may also be post-translationally modified. For exampleit may be glycosylated or comprise modified amino acid residues. A DDAHof DI can be in a variety of forms of polypeptide derivatives, includingamides and conjugates with polypeptides.

Chemically modified DDAHs or DIs also include those having one or moreresidues chemically derivatized by reaction of a functional side group.Such derivatized side groups include those which have been derivatizedto form amine hydrochlorides, p-toluene sulfonyl groups, carbobenzoxygroups, t-butyloxycarbonyl groups, chloroacetyl groups and formylgroups. Free carboxyl groups may be derivatized to form salts, methyland ethyl esters or other types of esters or hydrazides. Free hydroxylgroups may be derivatized to form O-acyl or O-alkyl derivatives. Theimidazole nitrogen of histidine may be derivatized to formN-im-benzylhistidine.

A DDAH or DI may be isolated by any suitable means for use incrystallization studies. For example, a DDAH or a DI may be purifiedusing biochemical means from a suitable source. Typically, however, itwill be convenient to over-express a DDAH or a DI in cells and purifythe DDAH or DI from those cells. Thus, a polynucleotide encoding a DDAHor a DI as described herein may be used in the construction of a vector.It may be necessary to use a polynucleotide encoding an inactive DDAH orDI as defined above. This may be necessary if over-expression of anactive DDAH or DI disrupts cell function to the extent that expressioncannot occur to a desired level.

Preferably, a polynucleotide in a vector is operably linked to a controlsequence which is capable of providing for the expression of the codingsequence by a host cell when the construct in transferred into thatcell, i.e. the vector is an expression vector. The term “operablylinked” refers to ajuxtaposition wherein the components described are ina relationship permitting them to function in their intended manner. Aregulatory sequence, such as a promoter, “operably linked” to a codingsequence is positioned in such a way that expression of the codingsequence is achieved under conditions compatible with the regulatorysequence.

The vectors may be for example, plasmid, virus or phage vectors providedwith a origin of replication, optionally a promoter for the expressionof the said polynucleotide and optionally a regulator of the promoter.The vectors may contain one or more selectable marker genes, for examplean ampicillin resistence gene in the case of a bacterial plasmid or aresistance gene for a fungal vector. Vectors may be used to transfect ortransform a host cell, for example, a bacterial, yeast, insect ormammalian host cell.

Promoters and other expression regulation signals may be selected to becompatible with the host cell for which expression is designed. Forexample, yeast promoters include S. cerevisiae GAL4 and ADH promoters,S. pombe nmtl and adh promoter. Mammalian include promoters such asP-actin promoters or the metallothionein promoter which can be inducedin response to heavy metals such as cadmium. Viral promoters such as theSV40 large T antigen promoter or adenovirus promoters may also be used.All these promoters are readily available in the art. The vector mayfurther include sequences flanking the polynucleotide giving rise topolynucleotides which help in the expression of the DDAH or DI.

Constructs which contain a polynucleotide encoding a DDAH or a DI may betransferred, for example by transformation or transfection, into a cellso that the cells express the DDAH or DI. Such cells may express theDDAH or DI transiently or stably. Suitable cells may be highereukaryotic cell lines, such as mammalian cells or insect cells, lowereukaryotic cells, such as yeast or prokaryotic cells such as bacterialcells. The cell line may be selected so that appropriatepost-translational modification occurs. It is also possible for theproteins of the invention to be transiently expressed in a cell line oron a membrane, such as for example in a baculovirus expression system.Such systems, which are adapted to express the proteins according to theinvention, are also included within the scope of the present invention.

The DDAH or DI may be crystallised according to any method known tothose skilled in the art.

X-ray diffraction may be carried out according to any method known tothose skilled in the art. The data collected from X-ray diffractionexperiments may be processed to deduce the structural coordinates of theDDAH or DI being studied using methods well known to those skilled inthe art.

The invention also provides the use of the structural coordinatesobtainable by subjecting a crystal comprising a DDAH or a fragmentthereof or a DI or a fragment thereof bound to a substrate or product toX-ray diffraction measurements and deducing the structural coordinatesfrom the diffraction measurements. Suitable substrates are asymmetricmethylated arginine derivatives, for exampleN^(G),N^(G)-dimethyl-L-argine (ADMA) or N^(G)-monomethyl-L-arginine(L-NMMA) in the case of DDAH and arginine in the case of DI. A suitableproduct is citrulline for DDAH or DI.

When a crystals comprising an arginine-modifying enzyme bound to asubstrate or product is used, typically an inactive form of a DDAH or DIis used. The DDAH or DI is inactive in the sense that it is binds asubstrate but substantially cannot metabolize that substrate. Analternative suitable inactive DDAH or DI can typically be capable ofbinding the product without metabolizing that product. A suitableinactive DDAH or DI may be capable of binding both substrate andproduct.

The invention provides the use of structural coordinates to identify,characterise, design or screen a chemical entity. The chemical entitymay be for example a modified DDAH or DI or a chemical entity whichbinds to a DDAH or a DI. A chemical entity which binds to a DDAH or a DImay be, for example, an inhibitor or an activator of that DDAH or DI.

A modified DDAH or DI may have a different sequence to its correspondingDDAH or DI. Alternatively, it may have the same sequence as itscorresponding wild-type sequence, but comprise one or more chemicallymodified amino acids.

Preferred modifications are those which alter the activitycharacteristics of the DDAH or DI, but which do not substantially alterthe shape of the DDAH or DI.

A chemical entity which binds to a DDAH or a DI is any chemical entitycapable of forming an association with the DDAH or DI. The chemicalentity may bind to a DDAH or DI non-specifically, in which case it willbind to other partners, or may bind specifically to a DDAH or a DI.Chemical entities which bind DDAH or DI may be small molecules, forexample small organic or inorganic molecules. Alternatively, thechemical entity could be a large/macromolecule, for example apolypeptide or peptide. The polypeptide or peptide may be for example,an antibody or a fragment of an antibody.

An inhibitor of a DDAH or a DI is one which, when present, produces ameasurable reduction in DDAH or DI activity in the calorimetric assaydescribed in Leiper et al., 1999 (supra). An activator of a DDAH or DIis one which, when present, produces a measurable increase in DDAH or DIactivity in the colorimetric assay described in Leiper et al., 1999(supra).

Preferred inhibitors are those which reduces DDAH or DI activity by atleast 10%, at least 20%, at least 30%, at least 40% at least 50%, atleast 60%, at least 70%, at least 80%, at least 90%, at least 95% or atleast 99% at a concentration of the inhibitor of 1 μg ml⁻¹, 10 μg ml⁻¹,100 μg ml⁻¹, 500 μg ml⁻¹, 1 mg ml⁻¹, 10 mg ml⁻¹, 100 mg ml⁻¹.

Preferred activators are those which increase DDAH or DI activity by atleast 10%, at least 25%, at least 50%, at least 100%, at least, 200%, atleast 500% or at least 1000% at a concentration of the activator 1 μgml⁻¹, 10 μg ml⁻¹, 100 μg ml⁻¹, 500 μg ml⁻¹, 1 mg ml⁻¹, 10 mg ml⁻¹, 100mg m⁻¹.

The percentage inhibition or activation represents the percentagedecrease or increase in activity in a comparison of assays in thepresence and absence of the test substance. Any combination of the abovementioned degrees of percentage inhibition or activation andconcentration of inhibitor or activator may be used to define aninhibitor or activator of the invention, with greater inhibition oractivation at lower concentrations being preferred.

Inhibition may occur if, for example, the inhibitor resembles thesubstrate and binds at the active site of the DDAH or DI. The substrateis thus prevented from binding to the same active site and the rate ofcatalysis is reduced by reducing the proportion of enzyme moleculesbound to substrate (competitive inhibition): An inhibitor may also exertits effects by non-competitive inhibition where the inhibitor andsubstrate can bind simultaneously to the DDAH or DI and thus bind atdifferent non-overlapping sites. Inhibition occurs as the turnovernumber of the DDAH of DI decreases.

Activation may occur, for example, if the modulator increases theaffinity of the substrate for the DDAH or DI or vice versa. This meansthat the proportion of DDAH or DI molecules bound to a substrate isincreased and the rate of catalysis will thus increase.

The structural coordinates of a DDAH of a DI crystal, in particular acrystal of a DDAH of a DI bound to its substrate, may allow the skilledperson to predict which amino acids may be important in active siteformation and-which amino acids are important in contacting thesubstrate and product. The substrate binding site bound to the DDAH orDI peptide to be shown as a two dimensional representation, for exampleas a LIGPLOT or a three dimensional representation by physical models oras displayed on a computer screen. Such representations can be used todesign modifications of a DDAH or DI, for example in the design of aDDAH or DI with altered activity characteristics, to design chemicalentities which bind a DDAH or a DI or to design modifications tochemical entities which bind a DDAH or a DI.

Example of modifications include modification to increase the avidity ofa DDAH or a DI for its substrate or product. That type of modificationmay increase the activity of a DDAH or a DI, increase the avidity of aninactive DDAH or DI for a DDAH or DI substrate or may alter thesubstrate specificity of the DDAH or DI in question. Alternatively,modifications may increase the avidity with which a chemical entitybinds DDAH or DI. Thus modifications may be made to a known inhibitor oractivator of DDAH or DI so that they bind DDAH or DI with increasedaffinity, thus increasing their efficacy.

The avidity of a DDAH or DI for its substrate or product or of achemical entity for a DDAH of DI may be increased by modifying theactive site to increase the amount and number of interactions favourableto binding. Favourable interactions may be increased by extending thestructure of the substrate or product binding site or the chemicalentity into spaces which are shown in the two dimensional or threedimensional representations to be unoccupied or filled with watermolecules.

The representations of the structures may be used in other ways tomodify the structure of a DDAH or DI. The representations of a DDAH orDI active site may be used to model constraints by the putativeintroduction of covalent bonds between the atoms which come closetogether when a DDAH or DI binds to a substrate or product; one or morechemical linkers may be used between atoms of a DDAH or DI to constrinthe active site to the required conformation, and/or one or more aminoacids of a DDAH or DI may be replaced by analogues of the natural aminoacids which help to constrain the conformation of the active site. Onthe basis of such modelling, modified DDAHs or DIs may be identified,characterised, designed or screened.

Representation of the active site bound to a substrate may be used topredict which residues of a DDAH or DI are likely to be involved in thesteric hindrance. Such residues may be modified, replaced or deleted todecrease the steric hindrance in order to increase avidity.

In general it will be necessary to process the structural coordinatesobtainable according to the invention in computer-based methods in orderto identify or design chemical identities with a desired molecularstructure or to identify chemical entities whose structure is similar toall or a part of another chemical entity of interest.

Thus, chemical entities which have a structure similar to a DDAH or afragment thereof or a DI or a fragment thereof may be identified ordesigned. Also, chemical entities which bind to a DDAH or a DI may beidentified or designed. Preferably, that type of chemical entity willbind at the active site of a DDAH or DI.

Such computer-based methods fall into two-broad classes: databasemethods and de novo design methods. In database methods the chemicalentity of interest is compared to all chemical entities present in adatabase of chemical structures and chemical identities whose structureis in some way similar to the compound of interest are identified. Thestructures in the database are based either on experimental data,generated by NMR or x-ray crystallography, or modeled three-dimensionalstructures based on two-dimensional data. In de novo design methods,models of chemical entities whose structure is in some way similar tothe compound of interest are generated by a computer program usinginformation derived from known structures and/or theoretical rules.

Using the structural coordinates, a three dimensional representation ofthe surface of a DDAH or a DI, in particular the active site, can beproduced using Catalyst Software such as Catalyst/SHAPE,Catalyst/COMPARE, DBServer HipHop Ludi, MCSS and Hook which areavailable from Molecular Simulations Ltd., 240/250 The Quorum, BarnwellRoad, Cambridge, England. Modified DDAHs or DIs, for example can beproduced either by computationally identifying compounds which have asimilar surface to the DDAH, or by computationally designing compoundswith surfaces which are likely to bind a substrate or product.

Various methods can be used to produce a three dimensional surface whichis the same or similar to the surface of a chemical entity which willbind DDAH or DI, preferably at the active site. Based on this shape,packages such as Catalyst/SHAPE and Catalyst/COMPARE can be used toselect compounds from databases which have a similar three dimensionalshape. Thus chemical entities which bind a DDAH or DI, for example, canbe produced either by computationally identifying compounds which have asimilar surface, or by computationally designing compounds with surfaceswhich are likely to bind to a DDAH or a DI.

The success of both database and de novo methods for identifyingcompounds with activities similar to the compound of interest depends onthe identification of the functionally relevant portion of the compoundof interest. For a chemical entity that interacts with a DDAH or DI, thefunctionally relevant portion is referred to as a pharmacophore. Apharmacophore is an arrangement of structural features and functionalgroups important for biological activity. Similarly, one can identifyone or more pharmacophores for a given chemical entity which binds to aDDAH or a DI. In this case, the pharmacophore is a group of atoms thatplay an important role in binding to a DDAH or DI and thus foractivation or inhibition of a DDAH of DI, for example.

The data provided herein, concerning the structures of a DDAH and thestructure of a DDAH bound to a substrate permits the identification ofpharmacophores important for binding to arginine-modifying enzymes, inparticular to a DDAH or a DI.

Programs suitable for pharmacophore selection and design include DISCO(Abbott Laboratories, Abbott Park, Ill.) and catalyst (Bio-CAD Corp.,Mountain view, Calif.). Databases of chemical structures are availablefrom Cambridge Crystallographic Data Centre (Cambridge, UK) and ChemicalAbstracts Service (Columbus, Ohio). De novo design programs include Ludi(Biosym Technologies Inc., San Diego, Calif.) and Aladdin (DaylightChemical Information Systems, Irvine, Calif.). Such programs are wellknown to those skilled in the art. Packages such as DBServer1 and HipHopcan be used to search databases for compounds whose surfaces aredescribed by similar pharmacophores.

Once a chemical entity has been designed or selected by the abovemethods, the efficiency with which that entity binds a DDAH or a DI, asubstrate or a product may be tested and optimized using computationalor experimental evaluation. Various parameters can be optimizeddepending on the desired result. These include, but are not limited to,specificity, avidity, on/off rates, and other characteristics readilyidentifiable by those skilled in the art.

The computational means may employ packages such as Catalyst/SHAPE,Catalyst/COMPARE, DBServer, HipHop, Ludi and MCSS to evaluate selectedmodified DDAHs or DIs and new DDAH or DI binding entities. Theexperimental means may comprise, for example, the calorimetric assaydescribed in Leiper et al., 1999 (supra).

Thus, one may optionally make substitutions, deletions, or insertions insome of the components of the DDAH or DI or to the DDAH or DI bindingentity in order to improve or modify the binding properties. Generally,initial substitutions are conservative, i.e. the replacement group willhave approximately the same size, shape, hydrophobicity and charge asthe original component. Such modifications can be computationally orexperimentally evaluated in the same manner as the first candidatechemical entities. If necessary, further modifications can be made. Thisprocess of evaluating and modifying may be iterated any number of times.

Thus, the invention provide a method for identifying, screening,characterising or designing a chemical entity which is a modified DDAHor DI or binds to a DDAH or DI, which method comprises comparing astructural model of the DDAH or DI with a structural model for saidchemical entity, and thereby determining whether said chemical entity islikely to bind to or mimic the DDAH or DI, wherein said structural modelof the DDAH or DI is derived from structural coordinates determined bysubjecting to X-Ray diffraction measurements a crystal comprising a DDAHor a DI. The invention also provides a chemical entity identified by amethod of the invention for identifying, screening, characterising ordesigning a chemical entity.

A chemical entity identified in the invention, for example by a useaccording to the invention or by a method of the invention foridentifying, screening, characterizing or designing a chemical entitywhich is a modified DDAH or a modified DI or binds to a DDAH or DI, maybe used in the treatment of medical or veterinary conditions. Thus, theinvention provides chemical entities for use in a method of treatment ofthe human or animal body by therapy. In particular, they may be used ina method of treatment of a condition in which the abnormal metabolism ofNO is implicated. A chemical entity identified in the invention may alsobe used for the manufacture of a medicament for use in the treatment ofa condition in which the abnormal metabolism of NO is implicated. Thecondition of a patient suffering from that type of condition can beimproved by administration of a chemical entity identified in theinvention. A therapeutically effective amount of a chemical entityidentified in the invention may be given to a human patient in needthereof.

A chemical entity which is an activator of a DDAH may be used in thetreatment of conditions in which reduced NO production is implicated. Inparticular such conditions as hyperlipidaemia, renal failure,hypertension, restenosis after angioplasty, complications of heartfailure, or atherosclerosis and its complications may be treated andpatients with schizophrenia, multiple sclerosis or cancer may also betreated. A modified DDAH which shows increased DDAH activity incomparison to its corresponding wild-type DDAH may also be used in thetreatment of the above conditions.

A chemical entity which is an inhibitor of a DDAH may be used in thetreatment of conditions in which increased NO production is implicated.In particular, conditions such as ischeamia-reperfusion injury of thebrain or heart, cancer, lethal hypotension in severe inflammatoryconditions such as septic shock or multi-organ failure, or local andsystemic inflammatory disorders including arthritis, skin disorders,inflammatory cardiac disease or migraine may be treated.

Alternatively, a chemical entity which is an inhibitor of a DDAH couldbe used as a joint therapy together with an inhibitor of NOS activity(for example, a methylarginine). For example, a specific inhibitor of aDDAH isoform could be used with the methylarginine L-NMMA. This approachmay radically alter the activity profile of L-NMMA and may result inL-NMMA having an increased inhibitory effect for a specific NOS isoform.Thus, the invention provides products containing an inhibitor of a DDAHactivity and/or expression and a methylarginine as a combinedpreparation for simultaneous, separate or sequential use in thetreatment of ischeamia-reperfusion injury of the brain or heart, cancer,lethal hypotension in severe inflammatory conditions such as septicshock or multi-organ failure, or local and systemic inflammatorydisorders including arthritis, slin disorders, inflammatory cardiacdisease or migrane.

A chemical entity which is an inhibitor of a DDAH or a DI may also beused as an antimicrobial agent, for example an antibacterial agent.Therefore, the invention also provides a chemical entity for use in thetreatment of a bacterial infection.

The formulation of a chemical entity of the invention will depend uponfactors such as the nature of the exact antagonist, whether apharmaceutical or veterinary use is intended, etc. A product of theinvention may be formulated for simultaneous, separate or sequentialuse.

A product of the invention is typically formulated for administration inthe present invention with a pharmaceutically acceptable carrier ordiluent. The pharmaceutical carrier or diluent may be, for example, anisotonic solution. For example, solid oral forms may contain, togetherwith the active compound, diluents, e.g. lactose, dextrose, saccharose,cellulose, corn starch or potato starch; lubricants, e.g. silica, talc,stearic acid, magnesium or calcium stearate, and/or polyethyleneglycols; binding agents; e.g. starches, gum arabic, gelatin,methylcellulose, carboxymethylcellulose or polyvinyl pyrrolidone;disaggregating agents, e.g. starch, alginic acid, alginates or sodiumstarch glycolate; effervescing mixtures; dyestuffs; sweeteners; wettingagents, such as lecithin, polysorbates, laurylsulphates; and, ingeneral, non-toxic and pharmacologically inactive substances used inpharmaceutical formulations. Such pharmaceutical preparations may bemanufactured in known manner, for example, by means of mixing,granulating, tabletting, sugar-coating, or film-coating processes.

Liquid dispersions for oral administration may be syrups, emulsions orsuspensions. The syrups may contain as carriers, for example, saccharoseor saccharose with glycerine and/or mannitol and/or sorbitol.

Suspensions and emulsions may contain as carrier, for example a naturalgum, agar, sodium alginate, pectin, methylcellulose,carboxymethylcellulose, or polyvinyl alcohol. The suspensions orsolutions for intramuscular injections may contain, together with theactive compound, a pharmaceutically acceptable carrier, e.g. sterilewater, olive oil, ethyl oleate, glycols, e.g. propylene glycol, and ifdesired, a suitable amount of lidnocaine hydrochloride.

Solutions for intravenous administration or infusion may contain ascarrier, for example, sterile water or preferably they may be in theform of sterile, aqueous, isotonic saline solutions.

A therapeutically effective amount of product of the invention isadministered to a patient. The does of a product of the invention may bedetermined according to various parameters, especially according to thesubstance used; the age, weight and condition of the patient to betreated; the route of administration; and the required regimen. Again, aphysician will be able to determine the required route of administrationand dosage for any particular patient. A typical daily dose is fromabout 0.1 to 50 mg per kg of body weight, according to the activity ofthe specific inhibitor, the age, weight and conditions of the subject tobe treated, the type and severity of the degeneration and the frequencyand route of administration. Preferably, daily dosage levels are from 5mg to 2 g.

The invention allows for the identification, screening,characterisation, design or modification of chemical entities whicheffect specific regulation a particular isoform DDAH and thus of NOS.Chemical entities which have effects specific for one particular DDAHisoform, for example a DDAHI or a DDAHIH, may be administerednon-specifically as they will only modulate the expression or activityof a particular methylarginase and thus the activity of one particularisoform of NOS. Chemical entities which are peptides or polypeptides maybe administered in the form of a naked nucleic acid construct. Uptake ofnaked nucleic acid constructs by mammalian cells is enhanced by severalknown transfection techniques for example those including the use oftransfection agents. Example of these agents include cationic agents(for example calcium phosphate and DEAE-dextran) and lipofectants (forexample lipofectam™ and transfectam™).

Typically, nucleic acid constructs are mixed with the transfection agentto produce a composition. Preferably the naked nucleic acid construct,viral vector comprising the polynucleotide or composition is combinedwith a pharmaceutically acceptable carrier or diluent to produce apharmaceutical composition. Suitable carriers and diluents includeisotonic saline solutions, for example phosphate-buffered saline. Thecomposition may be formulated for parenteral, intramuscular,intravenous, subcutaneous, or transdermal administration.

The pharmaceutical composition is administered in such a way that thepolynucleotide of the invention, viral vector for gene therapy, can beincorporated into cells at an appropriate area. When the polynucleotideof the invention is delivered to cells by a-viral vector, the amount ofvirus administered is in the range of from 10⁶ to 10¹⁰ pfu, preferablyfrom 10⁷ to 10⁹ pfu, more preferably about 10⁸ pfu for adenoviralvectors. When injected, typically 1-2 ml of virus in a pharmaceuticallyacceptable suitable carrier or diluent is administered. When thepolynucleotide of the invention is administered as a naked nucleic acid,the amount of nucleic acid administered is typically in the range offrom 1 μg to 10 mg.

Where the polynucleotide giving rise to the product is under the controlof an inducible promoter, it may only be necessary to induce geneexpression for the duration of the treatment. Once the condition hasbeen treated, the inducer is removed and expression of the polypeptideof the invention ceases. This will clearly have clinical advantages.Such a system may, for example, involve administering the antibiotictetracycline, to activate gene expression via its effect on the tetrepressor/VP16 fusion protein.

The use of tissue-specific promoters will be of assistance in thetreatment of disease using the olypeptides, polynucleotide and vectorsof the invention. It will be advantageous to be able express therapeuticgenes in only the relevant affected cell types, especially where suchgenes are toxic when expressed in other cell types.

The routes of administration and dosages described above are intendedonly as a guide since a skilled physician will be able to determinereadily the optimum route of administration and dosage for anyparticular patient and condition.

Chemical entities identified in the invention may be used in a method ofdiagnosis carried out on the human or animal body. Thus, a modifiedDDAH, for example an inactive modified DDAH, can be used to assay forthe concentration of asymmetric methylarginines, for example ADMA, in asample obtained from a subject. This may provide an indication of thestatus of a subject with respect to a particular medical condition, forexample it may indicate whether or not the subject is suffering from acardiovascular disease. Suitable samples include any body fluid, forexample blood, urine or saliva. In addition, tissue samples may be used,for example a blood vessel biopsy. It will be apparent to those skilledin the art how such assays may be carried out. A modified DDAH, forexample an inactive modified DDAH, may also be used for in vivoasymmetric methylarginine imaging. Generally, the modified DDAH is belabelled in such an application.

Chemical entities identified in the invention may also be used in amethod for identifying the presence or absence of an asymmetricallymethylated arginine derivative, for example ADMA, in a sample. Themethod comprises contacting the sample with a modified DDAH anddetermining whether the modified DDAH binds to an asymmetricallymethylated arginine derivative. The method could be applied in thecontext of a radioimmunoassay or a ligand binding assay. Suitableassayformats are well known to those skilled in the art. The modified DDAH ispreferably an inactive modified DDAH.

Similar methods may be carried out with a modified DI in order todetermine the presence or absence of arginine in a sample.

The invention also provides a crystal comprising a DDAH or a fragmentthereof or a DI or a fragment thereof. The DDAH or DI may be any DDAH orDI, for example one which is described above. The DDAH or DI may becrystallised in combination with its substrate or its product. Thecrystal may have the data statistics set out in Table I. Alternativelyor in addition, the crystal may have the structural coordinates set outin Table II.

The invention also provides a DDAH or a DI. A DDAH or a DI of theinvention is preferably one which has been identified, designed and/ormodified by use of the structural coordinates obtained by subjecting acrystal of the invention to X-ray diffraction. Preferred DDAHs or DIsare those which have been inactivated. Examples of such DDAHs or Dis arethose in which an amino acid equivalent to E114, H162 or C249 in thePaDDAH is replaced by a different amino acid. The term “equivalent” inthis context is explained above. Preferably, the different amino acid isalanine or a sterically similar residue.

Other residues which form part of the active pocket and stabilise itsstructure include those equivalent to D60, F63, E65, D66, R85, E88,D117, R132, L161, I243, K164, S248, S251, L252 and R253 in the PaDDAHsequence. Thus, the invention provides a DDAH which is mutated, forexample substituted, at one or more residues corresponding to one of theabove list. Two types of mutation are favoured which may provideinactive DDAHs or DIs: (i) substitution of a residue which hydrogenbonds directly to the substrate, such those equivalent to D66 and E65 inthe PaDDAH sequence, with a basic residue; and (ii) substitution ofhydrophobic residues, such as those equivalent to F63 and L161 whichcontact the hydrophobic part of the ligand either to block the activesite or to provide less favourable interactions. More extensivemutation, for example changing the length of the flexible loopssurrounding the active site cleft could also be used to affect activityof a DDAH or a DI. A DDAH or DI of the invention may be used to preparea crystal of the invention which is then subjected to X-ray diffractionmeasurements according to a use of the invention.

The invention further provides a polynucleotide which encodes a DDAH ora DI of the invention and a vector which contains that polynucleotide. Apolynucleotide of the invention can be used to prepare a constructwherein the polynucleotide is operably linked to a promoter. Such aconstruct can then be used to transform or transfect a cell. Such cellsmay be used to over-express a DDAH or a DI of the invention. The DDAH orDI so-expressed may be used to prepare a crystal and that crystal usedaccording to the invention to identify, screen, characterise, design ormodify a chemical entity. Suitable promoters and cells are describedabove.

The invention also provides a method for preparing a crystal of theinvention. The method comprises crystallizing a substance comprising aDDAH or a fragment thereof or a DI or a fragment thereof. The DDAH or DImay be a DDAH or a DI of the invention.

The following Example illustrates the invention:

EXAMPLE

Materials and Methods

Preparation of P.a DDAH.

Samples of wild-type PaDDAH and the C249S mutant form were produced forcrystallisation as described below. BL21(DE3) cells (Novagen Inc.)transformed with pPROX.Hta.PaDDAH or pPROX.Hta.PaDDAH-C249S were grownat 30° C. in Luria-Bertani medium with carbenicillin (100 μg/ml) to anoptimal density of 0.8 at 600 nm, before induction with 0.5 mM IPTG.Cultures were harvested by centrifugation after 4-6 hrs. Forbiosynthetic-labelling of PaDDAH with seleno-methionine, B834(DE3) cellstransformed with pPROX.Hta.DDAH were grown at 30° C. in minimal mediumsupplemented with selenomethionine, and induced as described above andharvested after 12 hrs. Cell-pellets were resuspended in 25 ml of bufferA (50 mM NaH₂PO₄, 10 mM imidazaole, 0.3 M NaCl, 5 mM b-mercaptoethanol,1 mM PMSF, 5 mM benzamidine, adjusted to pH 8.0 with NaOH) and frozen at−80° C. DNAaseI was added to the thawed cell suspension to 10 μg/ml,before disrupting the cells by French-press (Spectronic InstrumentsInc.). The cell-lysate was centrifuged at 40,000 g for 30 mins. at 4° C.The lysate supematant was purified on a Ni—NTA (Qiagen Inc.) column(V_(t)=10 ml, d_(i)=16 mm), by washing in 100 ml of buffer A and then100 ml of buffer B (as buffer A, but with 50 mM imadazole pH 8.0);before step-elution with 50 ml of buffer C (as buffer A, but with 250 mMimidazole). EDTA (10 mM) was added to the DDAH pool, before furtherpurification by gel-filtration on a Superdex 200 column (V_(t)=100 ml,d_(i)=16 mm) equilibrated in 20 mM Tris pH 8.0, 100 mM NaCl, 10 mM DTT.The purified DDAH pool was then digested with rTEV protease (Gibco-BRL)at room temperature overnight, using 500 U rTEV per 10 mg PaDDAH. Thecleaved 6 His-tag and rTEV were removed by batch adsorption onto 2 ml ofNi—NTA agarose at 4° C. PaDDAH was then re-purified by gel filtration.The de-tagged PaDDAH pool was then buffer-exchanged into 25 mM Tris, 10mM DTT pH 8.0 using a Vivaspin centrifugal concentrator (Sartorius) thenconcentrated to 14 mg/ml. A final yield of 10-15 mg of PaDDAH per litreof original culture was obtained. Protein concentrations of purifiedPaDDAH samples were estimated by absorbance measurements at 280 nm. Theextinction coefficient of PaDDAH was calculated to be 12,960 M⁻¹ cm⁻¹using the program “Peptidesort” (GCG Inc.).

Bio-Physical Analysis.

Mass spectra were collected on a VG Platform Electrospray MassSpectrometer (Micromass). Samples were desalted by ultrafiltration intode-ionised water. Samples were then injected (10 μl) under standardconditions (80-200 pmol/μl in 50% acetonitrile, 0.25% fornic acid).Delivery solvent (50% acetonitrile) was pumped at a flow rate of 10μl/min. Twelve 10 second scans were accumulated for each-sample over them/z range 750-1150. Source temperature was set at 45° C. and the conevoltage was 41 volts. Spectra were processed using the ‘Masslynx’software supplied with the instrument (version 3.0 b5). Horse heartmyoglobin was used to calibrate the instrument (M_(r)=16951.5 asdetermined by (Ashton et al.,1994). The masses of “de-tagged” wild-typeand C249S mutant PaDDAH constructs were calculated to be 29,217 and29,201 respectively. The observed masses matched the calculated massesto within experimental error (4 mass units) and indicated that bothsamples were essentially homogeneous.

Analytical gel-filtration and dynamic light scattering were used toestimate the apparent molecular weight and oligomeric state of PaDDAHover a range of protein concentrations. Both analyses suggested thatDDAH was dimeric in solution over the concentration range of 0.1-10mg/ml.

Analytical gel-filtration chromatography was performed using a Superdex200 HR column (10/30) (Amersham-Pharmacia Biotech), equilibrated in 25mM Tris, 100 mM NaCl, pH 7.0, 5 mM DTT at a flow-rate of 0.5 ml/min,using 100 μl sample volumes at 0.1, 1.0 and 10 mg/ml proteinconcentration. The column was calibrated with a range of proteinmolecular weight standards to allow estimation of apparent molecularmass (Preneta, 1990).

Dynamic light scattering measurements were obtained using a DynaPro-801instrument equipped with a 100 μl cell (Protein Solutions,Charlottesville, Va.). Samples of PaDDAH, at concentrations of 0.5, 2.0,6.0 and 12 mg/ml in 25 MM Tris, 100 mM NaCl, pH 7.0, 5 mM DTT buffer,were passed through 0.2 μm membrane filters (Whatman, UK) duringinjection. Measurements were taken at room temperature according to themanufacturer's instructions, and data was analysed using ‘Autopro’software. The program allowed calculation of the translational diffusioncoefficient, D, which was converted into apparent Stokes radii, Rs_(app)via the Stokes-Einstein equation:Rs,app=kT/6πη₀ Dwhere k is the Boltzrnan constant, T the temperature in degrees Kelvinand η₀ the solvent viscosity that was assumed to be that of water. Theinstrument was calibrated with a set of twenty-three standard proteinsranging in size from 8-1250 k in M_(r), allowing reliable estimation ofmolecular mass from measurements of diffusion coefficients. The photoncount-rate varied by less than 3% in all experiments. Sum of squareserrors for all readings were less than 1.0 indicating that the data wasof high quality with a high signal to noise ratio.

Analytical gel-filtration and dynamic light scattering were used toestimate the apparent molecular weight and oligomeric state of PaDDAHover a range of protein concentrations. Both analyses suggested thatDDAH was dimeric in solution over the concentration range of 0.1-10mg/mil. There was some evidence of a reduction in apparent molecularweight as the protein concentration was decreased suggesting some degreeof dissociation of dimer. In addition dynamic light scattering dataindicated that PaDDAH existed as an essentially mono-dispersed dimer ata protein concentration of 12 mg/ml.

Site-Directed Mutagenesis

The open reading frame of Pseudomonas DDAH was cloned in framedownstream of the polyhistidine and linker sequences of the plasmidpProEX HTa (Life Technologies). Recombinant plasmids were transfectedinto competent E. coli DH5α which were seeded into liquid cultures. Whencultures had reached an OD of 0.5 protein expression was induced by theaddition of IPTG (final conc 1 mM). Two hours post induction cells wereharvested by centrifugation and lysed by sonication. Cytosolic proteinwas separated from cell debris by centrifugation and recombinant proteinwas purified by affinity chromatography (Nickel agarose binding topolyhistidine tag) followed by size fractionation. The polyhistidine andlinker sequences were removed by proteolysis with recombinant tobaccoenvelope virus protease (Life technologies).

Site-directed mutagenesis was performed using a PCR based method.Complimentary oligonucleotides (forward and reverse) encoding thedesired nucleotide substitution were designed. In separate PCRreactions, using cloned PaDDAH as the template, each of the mutagenticoligonucleotide was included with a primer complimentary to flankingvector sequences. The products of the two PCR reactions were gelpurified, combined and the entire open reading frame was then amplifiedusing the two vector primers previously included in the initial PCRreactions. PCR products were cloned into pProEX HTa and sequenced toverify the correct sequence.

Activity of the mutants was determined by the colorimetric assaydescribed in Leiper et al. (1999), Biochem. J. 343, 209-214.

Crystallography

Crystallization. All crystals were grown at room temperature by thesitting drop method using 1.5 μl of each of the protein solution and thewell solution per drop.

For the native and the SeMet derivatives the protein stock solution wasbetween12 and 14 mg/ml in 50 mM Tris buffer, pH 8 with 5 mM DTT. For theco-crystallisation of mutant protein, ligand at a concentration giving10-15:1 molar ratio was added to the protein solution. The wellsolutions were in the range 0.1M Tris pH8.5, 0.15-0.3M Na acetate,25-35% w/v PEG4000.

Data Collection. Experimental details and data statistics for native,SeMet, citrulline- and ADMA-cocrystallised datasets are given in TableI. Data processing was with MOSFLM (Leslie, 1992, Joint CCP4 andESF-EAMCB Newsletter on Protein Crystallography, No 26) and subsequentcalculations used the CCP4 programs (CCP4, 1994, Collaborative ComputingProject, Number 4. The CCP4 suite: programs for computationalcrystallography. Acta Crystallographica D, 50, 760-763.).

Structure solution and refinement. The structure of the SeMet derivativeof PADDAH was solved by using SOLVE (Terwiliger and Berendzen, 1999,Automated structure solution for MIR and MAD. Acta CrystallographicaD55, 849-861) using the MAD dataset. This revealed 10 out of a possible14 Se sites, which were grouped in two sets of five related by atwo-fold axis. Use of density modification and two-fold averaging in theprogram DM (Cowtan, 1994) produced a map in which most of the mainchaincould be traced, with the help of the Se sites as landmarks. NativePaDDAH and the SeMet derivative crystallise in the same space group, butdo not scale well together. The structure of native PaDDAH was solved byusing the phases obtained from SOLVE for the SeMet derivative with thenative F's as input to density modification and two-fold averaging-inDM. This showed a dimeric structure essentially the same as that ofSeMet derivative, but with a small displacement of one molecule of thedimer. The same reflection set was used for cross-validation (R_(free))calculation in both the native and SeMet datasets. Co-crystallisationsof C249S PaDDAH with citrulline and ADMA each produced crystal ofdifferent habit from the native, and with higher resolution diffraction.This is reflected in the overall B values from a Wilson plot of 16 and18 Å² respectively, compared with 40 Å² for both the native and SeMetdatasets.

The citrulline- and ADMA-containing C249S mutant crystals were in spacegroup C2 (1 molecule/asymmetric unit) and P21 (4 molecules/asymmetricunit) respectively, and they were each solved by molecular replacementusing a partly refined native structure in AmoRe (Navaza, 1994, AmoRe:an Automated package for molecular replacement. Acta CrystallographicaA, 50, 157-163.). The cell dimensions of the ADMA-containing crystalsshow similarity to that of the native, while the cell for the citrullinederivative is not obviously related.

Model building was done with the program O (Jones et al., 1991, Improvedmethods for building protein models in electron density maps and thelocation of errors in these models. Acta Cryst. A, 47, 110-119.) andrefinement with refmac (Murshodov, et al., 1997, Refinement ofMacromolecular Structures by the Maximum Likelihood Method. ActaCrystallographica D, 53, 240-255). In all the structure there is acis-Pro at 110.

In the C249S-citrulline and C249S-ADMA structures, all the residues arewithin allowed regions of the Ramachandran plot except E171, whichprecedes the phi-positive H172. These residues are in a loop region, butthe electron density is unambiguous, although no functional reason hasyet been discerned.

Results

The DDAH fold

The crystal structure of DDAH from Pseudomonas aeruginosa residues 0 to254 as the selenomethioinine derivative was solved by MAD methods at 2.4Å resolution. Amino-terminal residues that had been cloned to the Nterminus are not seen in the electron density map. The phases from theSe-substructure were used to solve the native enzyme at 2.4 Åresolution. Coordinates from the native structure were used as the modelto solve the structures of a C249S mutant co-crystallized with ADMA at2.0 Å resolution and with citrulline at 1.8 Å resolution by molecularreplacement. The structure coordinates for the native PaDDAH are set outin Table II and the structure coordinates of C249S co-crystallized withcitrulline are set out in Table III.

The overall fold of Pseudomonas aeruginosa DDAH (PADDAH) shown comprisesa type of barrel formed from 5 modules of a weakly conserved ββαβstructural motif which enclose the active site. The N— and C-terminiprotrude from one (“bottom”) end of the barrel, and at the other (“top”)end loop regions surround the active site entrance. Within each β₁β₂αβ₃module the three strands are approximately parallel to the barrel axisand arranged as a sheet with β₁ (inside the barrel) antiparallel to β₂,which in turn is parallel to β₃ (on the outside of the barrel); thehelix lies on a face of the sheet. There are more or less elaborateloops between these secondary structural elements.

Module 1 comprises residues 0-67, and the C-terminal strand 249-254,acting as β₁; module2, residues 68-117; module3, residues 118-166;module 4, residues 167-205; and module 5(residues 206-248).

As predicted by both inspection of alignment from PSIBLAST (Altschul etal., 1997, Gapped BLAST and PSI-BLAST: a new generation of proteindatabase search programs. Nucleic Acids Res. 25, 3389-3402.) and the3D-PSSM fold prediction server (Kelley et al., 2000, Enhanced genomeannotation using structural profiles in the program 3D-PSSM. J. Mol.Biol. 299, 501-522), the DDAH fold is related to that of humanL-argine:glycine amindinotransferase (AT, DPB code 1jdw), althoughPaDDAH is much smaller (254 as opposed to 360 amino acid residues) andthe sequence identity between human DDAH1 and AT is 18%. A superpositionof the Cα traces of PaDDAH and AT is shown in; the rms based on 217equivalent Cα atoms is 1.8 Å. Module 4 is particularly sketchy, with thealpha helix represented by four residues in a 3₁₀ helical conformation.However there is a clear correspondence between the catalytic residuesof AT (C407, H303, D254) and C249, H162 and E114 of DDAH. Interestingly,these residues and the mechanistically important D66 are all found tolie in roughly the same position with respect to the module-structure,on a kinked region immediately preceding strand β₁ at the same levelinside the barrel.

Dimer Formation

Both AT and DDAH are dimeric in the crystal, and DDAH has been shown tobe dimeric in solution by analytical gel-filtration and dynamic lightscattering (see Experimental section). In each of the crystal forms inthe present study the dimer is formed in the same manner, so that it isless likely to be a crystallisation artefact. At the heart of each dimeris the interaction of a strand on the exterior of the barrel with itsequivalent around a two-fold axis. In DDAH this is strand β₃ of module 1(residues 48 to 53), whereas in AT it is strand β₃ of module 2 (residues209-212), leading to different spatial arrangements of the protomers intheir respective dimers. Calculation of accessible surface areas forDDAH monomers and dimers in GRASP give a mean buried area per protomerat the interface of 1154 Å², which is within the limits for a protein ofthis molecular weight (Jones and Thornton, 1995, Protein-ProteinInteractions: A Review of Protein Dimer Structures In Progress inBiophysics and Molecular Biology, 63, 31-165.). The AT interface is moreelaborate than that of DDAH, and involves additional residues frommodules 1 and 3 (Humm et al., 1997, Crystal structure and mechanism ofhuman L-arginine:glycine amidinotransferase: a mitochondrial enzymeinvolved in creatine biosynthesis. EMBO J. 16, 3373-85.); the surfacearea/protomer buried on dimer formation is 1773 Å² in AT.

The angle between the approximate 5-fold axis in the barrel and thedimer axis is different in AT and DDAH. In AT these-axes are almostparallel, and it was suggested that this enables the N-terminal residuesto protrude on the same side of the dimer and to act as a membraneanchor. In DDAH the two-fold axis is more tilted with respect to thebarrel axis, so that the chain termini are more widely separated, whichis consistent with its predominantly cyctosolic location (Birdsey etal., 2000, Intracellular localization of dimethylargininedimethylaminohydrolase overexpressed in an endothelial cell line. ActaPhysiol. Scand. 168, 73-79.).

The angle between the two interface strands is likewise significantlydifferent in AT and DDAH. In DDAH there are two pairs of hydrogen bondsacross the two-fold axis, so that a 6-membered beta sheet is formed formthe two adjacent 3-stranded β₁β₂β₃ sheets of the protomers. In AT theangle between the two strands is too large for continuous beta sheetformation, and the central strands interact at a single residue, withmost of the interface contacts contributed by residues from parts of thestructure not present in DDAH.

A similar variation in homodimers of very similar enzyres is reported ina structure of a prokaryotic superoxide dismutase (SOD) compared withthe eukaryotic SODs (Bourne et al., 1996, Novel dimeric interface andelectrostatic recognition in bacterial Cu, Zn superoxide dismutase.Prog. Natl. Acad. Sci. USA 93, 12774-12779.). Both enzymes have the samefold and function but different strands from the Greek key β-barrel areused in the two interfaces, and different electrostatic substrateguidance is postulated. DDAH and AT are much more distantly related thanthe two form of SOD, but there is the intriguing question of whetherthey diverged from a common ancestor by the formation of two differentdimers in response to different cellular localisation as well asdifferent substrate specificity.

The DDAH Active Site

The active site of the SeMet derivative shows no density unaccounted forby protein atoms. The native form has density that may beβ-mercaptoethanol, analogous to that found in one of the preparations ofAT (PDB code 1jdw). The citrulline co-crystallisation experimentcontains a very clear citrulline molecule in difference density where ithad not been included in the model. The ADMA co-crystallisationexperiment gave crystals with four molecules in the asymmetric unit.

Much of the structure could be built into an averaged map, and theaveraged difference map for the ligand shows the methyl groups of ADMAto be present. However, on refinement they have somewhat highertemperature factors than the rest of the ADMA molecule, which may be theresult either of movement, or of a slow turnover of the ADMA resultingin the active sites being occupied partly by ADMA and partly by theproduct, citruline. As might be expected there is no evidence ofdimethylamine, the other product of the reaction.

Ligand Binding in DDAH

Identification of the active site residues permitted the production ofthe mutants C249S, H162F and E114Q. All three mutants were shown to beinactive by in vitro assays.

Co-crystallisation of the active site mutant C249S PaDDAH with ADMA(substrate) and citrulline (product/inhibitor) has provided evidence forthe binding modes at the extreme of the reaction. Comparison of thebinding site with that of arginine in AT shows that the ligand haschanged orientation with respect to the active site cavity by about 80°,preserving the orientation of the scissile bond. For this reason wepropose a similar mechanism, involving nucleophilic attack by the S atomof C249 on the carbon atom of the guanidino group of dimethylarginine.The slight deviation from planarity of the substituted guanidino groupmay be induced by the binding of the substrate in the active site, andwould increase the susceptibility of this bond to cleavage.

The DDAH site lies in a negatively charged cleft at the centre of thebarrel. In the apo-form of the enzyme this site is open but In thepresence of ligand, either substrate (ADMA) and product/inhibitor(citrulline), the active site is occluded by the folding down of a loopbetween residues 14 and 27 whose extremity is H22. This flap is verymobile/disordered in the apo-form of the protein, but becomes moreordered, with a concomitant increase in resolution of the diffraction,on binding ADMA or citrulline. There is a single direct contact betweenthe ligand (ADMA or citrulline) and the flap: the carbonyl O of Leu 18binds the peptide N of ADMA. The sidechain of D60 also bridges between Nof ADMA, and N of L18 (does in ADMA-check CIT. The flap region is quitevariable amongst DDAHs from different species, and there is aone-residue insertion here in mammalian DDAH compared with PADDAH, sothis contact is presumably a late event in ligand binding, rather than adriving force. This flap movement is in an opposite sense from that inAT, where the binding of L-arginine induces an open conformation.

The catalytic residues are supplied by three different modules of thesequence: E114 by module 3, H162 by module 4 and C249 by module 5. Theyall lie in the linker regions between strand β₃ of one their motif andstrand β₁ of the next. E114 and H162 immediately precede small 3₁₀helices, and C249 is also in a helical conformation.

Within the active site, a network of hydrogen bonds holds the ligand inplace, with the C249 of the catalytic triad on one side, and H162, E114on the other. The peptide end of the molecule form is hydrogen bonds tothe O atoms of L18 and I243, and to the sidechains of R132 and D60. Thehydrophobic part of the DDAH extended backbone is protected from thecharged residue around the cleft by the sidechains of F63 and L161. Theguanidinium end of the ADMA is hydrogen bonded to D66, which bridges Neand the non-methylated N^(G)′, and the H-bonding is similar in thecitrulline complex.

There is an extensive network of hydrogen bonds surrounding the activesite cleft, which stabilises the relationships between the secondarystructure elements, the ligand and the catalytic residues.

Comparison of the DDAH Active Site with that of Amidinotransferase

Having the scissile bond in the same orientation in the DDAH and ATcomplexes means that the backbones of the two ligands are differentlydisposed with respect to the active site residues, with an angle betweenthem of about 80 deg. This also has the result that some residues, whileapparently conserved between the two enzymes, actually have slightlydifferent roles.

D66(PaDDAH) and its sequential equivalent D170(AT) both make contactwith their ligand, but D66(PADDAH) makes two hydrogen bonds rather thanone, effectively locking the guanidino group in place. The D at thisposition is conserved in all DDAH sequences except M tuberculosis, andin the AT family. D66 is held in place by R85 (R189) and E88 (E192). R85and E88 are conserved in all know DDAH and AT sequences.

The equivalent dual hydrogen-bonding function to D66 is carried out byD305 in AT, which is conserved in known AT sequences. The sequentiallyequivalent residue to AT's D305 in PADDAH is R164, which is K or R inknown DDAH sequences (except M tuberculosis), and whose side-chain doesnot make contact with the ligand. The sidechain of E65 forms a hydrogenbond to NG′ of ADMA, and is mainly conserved in the DDAH sequences; thisaligns with the conserved R169 in AT, whose sidechain is directed awatfrom the arginine ligand; the equivalent bond is formed by D170 of AT,which is conserved in that family.

Residues involved in hydrogen bonding to the peptide end of the ligandare quite different in DDAH and AT. Interactions with the mainchain ofL18 are mentioned above, another example is D60, whose sidechain inhydrogen-bonded to the N of ADMA, but the equivalent Y164 in AT is notin contact with the R ligand.

Although the ligand in each complex makes contacts with two hydrophobicsidechains, the residues involved are different: L161 and F63 in DDAH;M302 and L358 in AT.

Proposed Mechanism

Ogawa et al. (1989, Purification and properties of a new enzyme,N^(G),N^(G)-dimethylarginine dimethylaminohydrolase, from rat kidney. J.Biol. Chem., 264, 10205-9) showed that DDAH from rat kidney irreversiblyconverted one molecule of ADMA to one molecule each of L-citrulline anddimethylamine, requiring no co-factors and giving no other product. Inthe presence of H₂ ¹⁸O, ¹⁸O was incorporated onto the ureido group ofthe citrulline, showing that a hydrolytic step is involved. They showedthat somebut not all, SH-blocking agents acted as inhibitors, as didcertain divalent metal ions. The structural data suggested that inPaDDAH the catalytic residues are C249, H162 and E114, and this wasconfirmed by mutations at these three positions which abolishedactivity. In most of the DDAH sequences the equivalent of E114 is D, butcomparison with the At structure, where D is also used, suggests thatonly minor adjustments are required to allow for the differing sidechainlengths. In the discussion which follows it can be assumed that D couldreplace E114 without major changes to the mechanism.

The ADMA (substrate) and citrulline (product/inhibitor) are both fixedfirmly into the active site by hydrogen bonds. If we denote themethyl-bearing guanidino-nitrogen atom as N^(G), and the hydrogenbearing nitrogen as N^(G)′, the sidechain of D66 hydrogen bonds to boththe NE and N^(G′) in both complexes. N^(G′) is also hydrogen-bonded tothe sidechain of E65 and both E65 and D66 are held in place by furtherH-bonds. It is suggested that these bonds serve as a vice to hold thesubstrate in position during the reaction. The OG of S249 (and thereforethe SG of native enzyme), the CZ of the substrate and the ND of H162 arein a line perpendicular to the plane of the guanidino group.

We hypothesise that the active site Cys and His form athiolate-imidazoliuniurn ion pair analogous to that of the cysteineproteases (Storer and Menard, 1994, Catalytic Mechanism in papain familyof cysteine peptidases. Methods Enzymol., 244, 486-500).

The proposed mechanism then involves nucleophilic attack by SG of C249on the CZ of the substrate with formation of tetrahedral centres at bothCZ and N^(G), which carries. The electron density for the ADMA show somedegree of distortion from planarity here, which would imply a loss ofconjugation of the bonds of the guanidino group. Although it isdifficult to apportion between twisting and non-planarity at the CZ,N^(G) atoms, it is suggested that the effect would be to increase thereactivity of this bond.

Dimethylamine is released, and diffuses out of the active site, leavingthe thiourea oxyanion derivative. In the second part of the reaction,hydrolysis of the intermediate, possibly by a water molecule activatedby interaction with H162 (there is no obvious general base in thevicinity). Finally collapse of the tetrahedral centre and release of aproton leaves the citrulline bound to active site; its releasepresumably require a conformational change back to the open form of theenzyme. There is as yet, no definite proof for the formation of anintermediate, and a one-step reaction could be envisaged, but thisdistinction will require direct observation of an intermediate.

DDAH Specificity

Both ADMA and LMMA will fit into the binding site in DDAH, and both willsusceptible to the steric distortion that is proposed to assist inactivating the scissile bond. Introduction of SDMA, however, would behindered both sterically and by the negatively charged environmentoccupied by the non-methylated N^(G) of ADMA.

PADDAH has been shown to have weak deiminase activity (Santa Maria etal, 1999, Identification of microbial dimethylargininedimethylarninohydrolase enzymes. Mol. Microbiol., 33, 1278-1279). It isquite possible to fit arginine in place of ADMA in the active site ofDDAH, and it might be expected to bind in the same way. However, theactive site of arginine deiminase (see below) is likely to beconsiderably different from that of DDAH.

While non-methylated arginine would fit into the bonding pocket, therewould be space for one or more water molecules, as found in thecitrulline structure, and also there would be less tendency for theguanidinium group to twist to fit in the active site. A closer fit oflocal residues and the assumption is that a chemical requirement for oneof the arginine N^(G) atoms to become the leaving group is not optimisedin DDAH.

Relationship of the PaDDAH Structure to other Family Members

Two questions that arise in considering the relationship of thestructure of the active site of PADDAH to other structures in thefamily, and its implications for other sequences in the superfamily are(i)Is PaDAAH a good model for human/mammalian DDAH? and (ii) What mightthe arginine deiminase active site look like? Some of the key residuesaround the PADDAH active site, together with their equivalents inarginine:glycine amidinotransferase, arginine:inosamine phosphatearnidinotransferase, the mammalian DDAH isoforms I and II and argininedeiminase are listed in Table IV.

(i)Is PaDAAH a good model for human/mammalian DDAH?

In a sequence-based alignment, while the catalytic His and D/E are inregister, the catalytic Cys of DDAHII is two residues later than that ofthe bacterial and DDAHI, so that an adjustment to the preceding loopwill be required. This is in contact with the flap region, and maysomewhat change its position. The flap region sequence is not conservedin the DDAH sequences, but since the only requirement is for contact ofthe ligand with a mainchain atom, this is not unexpected. There are,however, quite major large insertions and deletions, particularly inmodules 4 and 5, which are likely lead to local structural differencesbetween PaDDAH and mammalian DDAH, while maintaining the overallarchitecture.

Around the active site, most of the PaDDAH residues are conserved inDDAHI and bacterial DDAH. There are one or two surprising positionsamongst these residues at which there is no conservation between PaDDAHand the DDAHI isoforms. Two obvious examples are-E65, which is G inDDAHII and D60, which is L in DDAHII. R132 in DDAHI and bacterial DDAHis W in DDAII so clearly this is not an essential residue. Futhermore,132 is spatially close to another mutated residue between DDAHI and 2,G81W, and some degree of repacking will be needed to accommodate thesetwo sidechains in DDAH2.

Another feature reported in mammalian DDAH, but not PaDDAH is thepresence of a zinc ion, whose function is was speculated to bestructural; Zn²⁺ also inhibits the enzymatic activity (Bogumil et al.,1998, Characterization of dimethylargininase from bovine brain: evidencefor a zinc binding site. Biochemistry 37, 4791-4798.). No evidence of aZn²⁺ ion was found in any of the present-structures. The Zn²⁺ is thoughtto bind to cysteine and histidine sidechains, and there are severalplaces where a residue is conserved as one of these in mammalian DDAHbut not in the bacterial sequences, including 35, 168, 190, 205 and 214(PADDAH numbering). Apart from 35, all of these residues lie in parts ofthe structure where there are insertions/deletions, and thus expectedstructural variations, between the PaDDAH and mammalian sequences. Sofar inspection of the sequences and structure has failed to reveal apossible location for this binding site, although in view of itsinhibiting effect it is possible binding involves at least one residuefrom the active site.

(ii) What M the Arginine Deimnase Active Site look like?

Arginine deiminase is a bacterial enzyme that catalyses the first stepin the arginine dihydrolase pathway, which is an important source ofenergy in microbes. It catalyses the hydrolysis of arginine tocitrulline and ammonia, which involves breaking the equivalent bond tothat broken by DDAH. The substrates are not interchangeable, however;rat DDAH was reported to have no arginine deiminase activity (Ogawa etal., 1989, supra) and PADDAH to have only a very low level (Santa Mariaet al., 1999, supra).

Inspection of the aligned deiminase sequences (Knodler et al., 1998,Clonging and expression fo a prokaryotic enzyme, Arginine deiminase,from a primitive eukaryote Giardia intestinalis. J. Biol. Chem. 2734470-4477) shows conserved Cys, His and Glu residues in the same orderas in DDAH so that it is reasonable to assume that deiminase has asimilar catalytic triad and mechanism to DDAH. Homology between DDAH andarginine deiminase has been noted (Leiper et al., 1999, supra), althoughit is largely confined to the residues between the catalytic Glu and Hisresidues and those immediately adjacent to the catalytic Cys. Thesequence length in module 2 is approximately the same as that in PADDAH,but there is a large insertion in module 4.

Table IV shows that the arginine deiminase active site has some of thecharacteristics of both the DDAH and AT site.

A preliminary test for modelling the deiminase active site was made bytaking the structure of PaDDAH and making local mutations (residues inbrackets are conserved from PaDDAH to PaDEIM); D60N (63F) E65R (66D)(85R) (88E) 117(D) (132R) L161M K164D. The pair of mutations E65R andK164D where the R and D are conserved in the deiminases, arecharacteristic of the AT rather than the DDAH active site isparticularly notable. These sidechains occupy rather different spatialpositions in DDAH and AT, so that a rearrangement more complicated thanreversal of hydrogen-bonded pair is possible for deiminase. R132 isconserved, and might be thought to have the same function as in thePaDDAH active site; however, the equivalent residue to R132 in human andmouse DDAHII is W, so this position may not be critical.

Other mutations which on inspection of the substitutions above seem tobe affected by the changes around active site were Y38L, A82W, N204,1206Q, V247G, S248H, S251T, L252Cand R253P but of these only V247Grepresents a change to a residue conserved in the deiminase family. Fromgraphical inspection of the mutations above, and bearing in mind thediffering length of putative loop regions of the molecules, it is quitepossible that arginine deiminase has its own unique variant of theactive site, possibly with a different flap region and a distinctiveorientation of the substrate.

How Does This Structure Compare With Others With a Cys-His-Asp Triad?

The catalytic triad of DDAH is reminiscent of that of the cysteineproteases; however, the secondary structure elements in which the arefound do not resemble the cysteine proteases. It is therefore somewhatsurprising that manual overlay (using O) of the sidechains of thecatalytic triad of DDAH with that of arylamine N-acetyl transferase—amember of the cysteine protease superfamily (Sinclair et al., 2000,Structure of arylamin N-acetyltransferase reveals a catalytic triad.Nature Struct. Biol. 7, 560-564) -shows that distances between the threeequivalent pairs of Cα atoms of 2.9, 2.8 and 1.8 A. However there is nogeneral alignment of secondary structural elements, and the sequenceorder of the catalytic residues is reversed, so it not likely that theyshare a common ancestry. This seems to be an example of convergentevolution of a catalytic triad in the cysteine protease superfamily,analogous to the relationship between the serine proteases and otherenzymes that have independently evolved a Ser-His-Asp catalytic triad(Dodson, G. and Wlodawer, A, 1998, Catalytic triads and their relatives.TIBS 23, 347-352).

How Does it Compare With Other Enzymes that Process Arginine and RelatedMolecules?

Of the many enzymes involved in arginine synthesis and metabolism (Wuand Morris, 1998, Arginine Metabolism: nitric oxide and beyond. Biochem.J. 336, 1-17) structures are known for NOS (Fischmann et al., 1999,Structural characterization of nitric oxide synthase isoforms revealsstriking active-site conservation, Nat Struct Biol. 6, 233-42), arginase(Cox et al., 1999, Arginase-boronic acid complex highlights aphysiological role in erectile function, Nat Struct Biol. 6, 1043-1047),PRMT3 (Zhang et al., 2000, Crystal structure of the conserved core ofprotein arginine methyltransferase PRMT3, EMBO J 19, 3509-3519),argininosuccinate lyase (Turner et al., 1997, Human argininosuccinatelyase: a structural basis for intragenic complementation, Proc Natl AcadSci USA 94,9063-8) and AT but apart from AT none bears any resemblanceto that of DDAH. There are two enzymes which deiminate arginine,arginine deiminase (EC 3.5.3.6) which acts on free substrate, and whichis so far only known so far in bacteria, and protein arginine deiminase(PAD, EC 3.5.3.15), found mainly in vertebrates, which converts arginineresidues in proteins to citrulline in the presence of calcium ion. WhileDDAH processes free methylarginines, there is so far no equivalentenzyme known which processes methylarginine residues in a proteincontext.

There appears to be little similarly between DDAH and protein argininedeiminase, which is not surprising since DDAH buries the substrate, andin a protein context this would not be possible. It has been suggestedthe PAD has a catalytic Cys residue (McGraw et al., 1999,Purification,characterization, and sequence analysis of a potentialvirulence factor from Porphyromonas gingivalis, peptidylargininedeiminase. Infection and Immunity 67, 3248-3256), and the presence of asimilar catalytic triad seems quite plausible. TABLE I X-raycrystallographic data collection Each data set collected on a singlecryo-cooled crystal at flash cooled to 100 K in a gaseous nitrogenstream: the cryoprotetant was glycerol for the native dataset andN-paratone for all the others. Compound SeMet Native C249S + citrullineC249S + ADMA Beamline Grenoble BM30 Daresbury 9.5 Daresbury 14.1Daresbury 14.1 Detector Mar345 Mar345 ADSC ADSC Wavelength(Å) λ1 0.980011.2 1.244 1.244 λ2 0.98048 λ3 0.96686 Spacegroup P21212 P21212 C2 P21Cell dimensions a (Å)  86.367 86.030 69.814 85.020 b (Å) 127.872 127.72061.798 123.10 c (Å)  47.723 47.340 54.618 45.804 β (deg) 95.146 95.742 Z 2 2 1 4 Resolution (Å)  2.52 2.37 1.8 2.0 Unique refls. λ1 15665 1899220847 62421 λ2 15417 λ3 15887 Av.redundancy λ1 3.5 (2.3) 3.0 (2.2) 3.5(3.5) 7.4 (7.2) λ2 3.3 (2.2) λ3 Completeness % λ1 97.4 (85.6) 97.5(87.2) 99.3 (99.8) 98.9 (98.3) λ2 97.0 (84.9) λ3 97.7 (90.8) R_(merge)λ1 0.026 (0.062) 0.054 (0.243) 0.045 (0.082) 0.056 (0.114) λ2 0.025(0.025) λ3 0.028 (0.060) Ranom λ1 0.042 (0.070) λ2 0.025 (0.055) λ30.036 (0.059) I/σ(I) λ1 16.3 (8.8) 14.3 (4.9)  10.0 (8.0)  9.3 (5.9) λ213.4 (4.2) λ3 14.9 (4.9)

TABLE II Structural Coordinates for the native PaDDAH CRYST1  86.030 127.720  47.340  90.00  90.00  90.00 SCALE1 0.011624 0.000000 0.0000000.00000 SCALE2 0.000000 0.007830 0.000000 0.00000 SCALE3 0.0000000.000000 0.021124 0.00000 ATOM 1 N PHE A 0 37.110 33.687 30.450 1.0062.68 7 N ATOM 2 CA PHE A 0 36.149 32.847 29.678 1.00 62.98 6 C ATOM 3 CPHE A 0 36.358 32.903 28.163 1.00 61.43 6 C ATOM 4 O PHE A 0 37.13233.660 27.605 1.00 62.94 8 O ATOM 5 CB PHE A 0 34.703 33.264 29.966 1.0063.80 6 C ATOM 6 CG PHE A 0 34.173 34.358 29.076 1.00 63.61 6 C ATOM 7CD1 PHE A 0 33.061 34.131 28.298 1.00 63.56 6 C ATOM 8 CD2 PHE A 034.764 35.610 29.062 1.00 63.57 6 C ATOM 9 CE1 PHE A 0 32.527 35.15227.535 1.00 62.87 6 C ATOM 10 CE2 PHE A 0 34.202 36.637 28.329 1.0064.41 6 C ATOM 11 CZ PHE A 0 33.068 36.408 27.574 1.00 64.35 6 C ATOM 12N MET A 1 35.603 32.062 27.439 1.00 58.44 7 N ATOM 13 CA MET A 1 35.78332.081 25.998 1.00 53.42 6 C ATOM 14 C MET A 1 34.449 32.047 25.292 1.0048.80 6 C ATOM 15 O MET A 1 33.389 31.853 25.845 1.00 50.03 8 O ATOM 16CB MET A 1 36.454 30.804 25.498 1.00 57.14 6 C ATOM 17 CG MET A 1 37.95130.805 25.702 1.00 61.29 6 C ATOM 18 SD MET A 1 38.708 29.417 24.8091.00 66.99 16 S ATOM 19 CE MET A 1 39.150 30.325 23.302 1.00 65.96 6 CATOM 20 N PHE A 2 34.574 32.175 23.991 1.00 43.54 7 N ATOM 21 CA PHE A 233.416 32.043 23.105 1.00 37.19 6 C ATOM 22 C PHE A 2 33.709 30.75222.331 1.00 35.23 6 C ATOM 23 O PHE A 2 34.874 30.579 21.886 1.00 32.498 O ATOM 24 CB PHE A 2 33.335 33.214 22.123 1.00 37.42 6 C ATOM 25 CGPHE A 2 32.819 34.501 22.704 1.00 33.48 6 C ATOM 26 CD1 PHE A 2 33.45835.678 22.366 1.00 29.44 6 C ATOM 27 CD2 PHE A 2 31.711 34.474 23.5751.00 33.10 6 C ATOM 28 CE1 PHE A 2 33.020 36.893 22.877 1.00 27.39 6 CATOM 29 CE2 PHE A 2 31.274 35.726 24.095 1.00 34.33 6 C ATOM 30 CZ PHE A2 31.934 36.904 23.735 1.00 30.88 6 C ATOM 31 N LYS A 3 32.668 29.94322.181 1.00 32.94 7 N ATOM 32 CA LYS A 3 32.808 28.711 21.400 1.00 32.596 C ATOM 33 C LYS A 3 32.065 28.749 20.052 1.00 35.08 6 C ATOM 34 O LYSA 3 32.259 28.005 19.052 1.00 31.22 8 O ATOM 35 CB LYS A 3 32.431 27.44722.171 1.00 30.87 6 C ATOM 36 CG LYS A 3 33.123 27.110 23.406 0.00 25.006 C ATOM 37 CD LYS A 3 32.330 26.122 24.242 0.00 25.00 6 C ATOM 38 CELYS A 3 33.209 24.995 24.748 0.00 25.00 6 C ATOM 39 NZ LYS A 3 32.54924.234 25.844 0.00 25.00 7 N ATOM 40 N HIS A 4 31.068 29.690 19.935 1.0035.39 7 N ATOM 41 CA HIS A 4 30.260 29.860 18.772 1.00 30.13 6 C ATOM 42C HIS A 4 29.958 31.280 18.304 1.00 30.91 6 C ATOM 43 O HIS A 4 29.73232.268 18.938 1.00 28.72 8 O ATOM 44 CB HIS A 4 28.797 29.462 19.1081.00 34.36 6 C ATOM 45 CG HIS A 4 28.839 28.018 19.476 1.00 39.64 6 CATOM 46 ND1 HIS A 4 29.336 27.101 18.573 1.00 38.50 7 N ATOM 47 CD2 HISA 4 28.466 27.371 20.612 1.00 39.75 6 C ATOM 48 CE1 HIS A 4 29.26725.923 19.138 1.00 38.43 6 C ATOM 49 NE2 HIS A 4 28.752 26.067 20.3551.00 40.69 7 N ATOM 50 N ILE A 5 29.800 31.417 17.005 1.00 31.23 7 NATOM 51 CA ILE A 5 29.389 32.546 16.247 1.00 31.51 6 C ATOM 52 C ILE A 528.206 32.243 15.338 1.00 30.53 6 C ATOM 53 O ILE A 5 28.084 31.24914.667 1.00 30.67 8 O ATOM 54 CB ILE A 5 30.530 33.085 15.378 1.00 34.306 C ATOM 55 CG1 ILE A 5 31.276 34.062 16.341 1.00 34.58 6 C ATOM 56 CG2ILE A 5 30.004 33.777 14.108 1.00 33.67 6 C ATOM 57 CD1 ILE A 5 32.60634.306 15.607 1.00 39.67 6 C ATOM 58 N ILE A 6 27.264 33.192 15.221 1.0028.58 7 N ATOM 59 CA ILE A 6 26.134 33.025 14.300 1.00 23.15 6 C ATOM 60C ILE A 6 26.183 34.313 13.472 1.00 22.48 6 C ATOM 61 O ILE A 6 26.46635.446 13.947 1.00 23.13 8 O ATOM 62 CB ILE A 6 24.759 32.927 14.9271.00 25.16 6 C ATOM 63 CG1 ILE A 6 24.637 31.732 15.868 1.00 21.17 6 CATOM 64 CG2 ILE A 6 23.681 33.013 13.829 1.00 21.42 6 C ATOM 65 CD1 ILEA 6 23.301 31.698 16.628 1.00 24.74 6 C ATOM 66 N ALA A 7 26.027 34.14312.153 1.00 19.06 7 N ATOM 67 CA ALA A 7 26.108 35.297 11.282 1.00 15.976 C ATOM 68 C ALA A 7 25.239 35.074 10.083 1.00 17.69 6 C ATOM 69 O ALAA 7 24.846 33.925 9.978 1.00 16.09 8 O ATOM 70 CB ALA A 7 27.524 35.45010.763 1.00 16.42 6 C ATOM 71 N ARG A 8 24.985 36.082 9.225 1.00 20.62 7N ATOM 72 CA ARG A 8 24.109 35.758 8.053 1.00 21.09 6 C ATOM 73 C ARG A8 24.553 36.478 6.782 1.00 20.84 6 C ATOM 74 O ARG A 8 24.839 37.7026.814 1.00 17.32 8 O ATOM 75 CB ARG A 8 22.666 36.241 8.279 1.00 23.39 6C ATOM 76 CG ARG A 8 21.636 35.945 7.159 1.00 23.03 6 C ATOM 77 CD ARG A8 20.301 36.641 7.518 1.00 24.04 6 C ATOM 78 NE ARG A 8 19.582 36.0878.651 1.00 25.68 7 N ATOM 79 CZ ARG A 8 18.971 34.885 8.561 1.00 24.76 6C ATOM 80 NH1 ARG A 8 19.088 34.267 7.381 1.00 27.28 7 N ATOM 81 NH2 ARGA 8 18.281 34.175 9.395 1.00 21.38 7 N ATOM 82 N THR A 9 24.625 35.7885.650 1.00 19.75 7 N ATOM 83 CA THR A 9 25.056 36.555 4.443 1.00 23.25 6C ATOM 84 C THR A 9 24.210 37.745 4.160 1.00 22.64 6 C ATOM 85 O THR A 923.013 37.687 4.351 1.00 23.85 8 O ATOM 86 CB THR A 9 24.870 35.5913.226 1.00 23.90 6 C ATOM 87 OG1 THR A 9 25.514 34.403 3.785 1.00 27.688 O ATOM 88 CG2 THR A 9 25.578 35.942 1.975 1.00 21.05 6 C ATOM 89 N PROA 10 24.703 38.834 3.703 1.00 24.41 7 N ATOM 90 CA PRO A 10 23.82739.962 3.389 1.00 23.79 6 C ATOM 91 C PRO A 10 23.042 39.664 2.134 1.0028.09 6 C ATOM 92 O PRO A 10 23.514 39.037 1.162 1.00 32.99 8 O ATOM 93CB PRO A 10 24.760 41.053 3.035 1.00 19.47 6 C ATOM 94 CG PRO A 1026.019 40.404 2.602 1.00 20.50 6 C ATOM 95 CD PRO A 10 26.148 39.1093.434 1.00 24.16 6 C ATOM 96 N ALA A 11 21.828 40.167 2.084 1.00 31.10 7N ATOM 97 CA ALA A 11 20.890 40.076 0.989 1.00 31.27 6 C ATOM 98 C ALA A11 21.159 41.204 −0.030 1.00 34.04 6 C ATOM 99 O ALA A 11 21.684 42.2480.371 1.00 31.26 8 O ATOM 100 CB ALA A 11 19.493 40.259 1.531 1.00 29.046 C ATOM 101 N ARG A 12 20.754 40.944 −1.300 1.00 30.79 7 N ATOM 102 CAARG A 12 20.920 41.941 −2.323 1.00 33.27 6 C ATOM 103 C ARG A 12 19.99043.076 −1.933 1.00 32.96 6 C ATOM 104 O ARG A 12 20.347 44.253 −2.0241.00 33.10 8 O ATOM 105 CB ARG A 12 20.594 41.530 −3.765 1.00 36.05 6 CATOM 106 CG ARG A 12 21.187 40.228 −4.223 1.00 39.17 6 C ATOM 107 CD ARGA 12 21.123 39.985 −5.710 0.00 25.00 6 C ATOM 108 NE ARG A 12 22.09038.994 −6.168 0.00 25.00 7 N ATOM 109 CZ ARG A 12 23.073 39.249 −7.0200.00 25.00 6 C ATOM 110 NH1 ARG A 12 23.207 40.464 −7.531 0.00 25.00 7 NATOM 111 NH2 ARG A 12 23.921 38.288 −7.356 0.00 25.00 7 N ATOM 112 N SERA 13 18.819 42.783 −1.322 1.00 32.93 7 N ATOM 113 CA SER A 13 18.02043.921 −0.857 1.00 33.79 6 C ATOM 114 C SER A 13 18.785 44.852 0.0401.00 39.59 6 C ATOM 115 O SER A 13 18.374 46.016 0.228 1.00 42.25 8 OATOM 116 CB SER A 13 16.700 43.412 −0.328 1.00 32.35 6 C ATOM 117 OG SERA 13 16.791 42.748 0.948 1.00 35.17 8 O ATOM 118 N LEU A 14 19.91244.484 0.697 1.00 43.32 7 N ATOM 119 CA LEU A 14 20.676 45.332 1.5831.00 45.46 6 C ATOM 120 C LEU A 14 20.788 46.738 0.996 1.00 47.96 6 CATOM 121 O LEU A 14 20.716 47.698 1.692 1.00 44.53 8 O ATOM 122 CB LEU A14 22.096 44.793 1.759 1.00 46.15 6 C ATOM 123 CG LEU A 14 22.962 45.0902.949 1.00 45.96 6 C ATOM 124 CD1 LEU A 14 24.020 46.102 2.591 1.0047.65 6 C ATOM 125 CD2 LEU A 14 22.107 45.655 4.071 1.00 48.57 6 C ATOM126 N VAL A 15 21.070 46.859 −0.280 1.00 54.67 7 N ATOM 127 CA VAL A 1521.169 48.153 −0.966 1.00 61.86 6 C ATOM 128 C VAL A 15 19.771 48.721−0.944 1.00 67.28 6 C ATOM 129 O VAL A 15 19.556 49.441 0.081 1.00 70.798 O ATOM 130 CB VAL A 15 21.678 47.891 −2.381 1.00 60.80 6 C ATOM 131CG1 VAL A 15 21.929 49.294 −2.919 1.00 63.45 6 C ATOM 132 CG2 VAL A 1522.912 47.035 −2.279 1.00 58.69 6 C ATOM 133 N ASP A 16 18.842 48.423−1.873 1.00 69.66 7 N ATOM 134 CA ASP A 16 17.492 48.905 −1.592 1.0073.65 6 C ATOM 135 C ASP A 16 16.855 50.146 −2.118 1.00 73.96 6 C ATOM136 O ASP A 16 15.621 50.250 −1.876 1.00 75.09 8 O ATOM 137 CB ASP A 1617.256 49.122 −0.054 1.00 76.53 6 C ATOM 138 CG ASP A 16 15.860 48.7410.394 1.00 82.22 6 C ATOM 139 OD1 ASP A 16 15.092 47.968 −0.241 1.0082.82 8 O ATOM 140 OD2 ASP A 16 15.546 49.286 1.479 1.00 85.01 8 O ATOM141 N GLY A 17 17.524 51.084 −2.769 1.00 74.31 7 N ATOM 142 CA GLY A 1716.623 52.176 −3.163 1.00 74.96 6 C ATOM 143 C GLY A 17 17.373 53.481−3.185 1.00 75.85 6 C ATOM 144 O GLY A 17 18.517 53.424 −3.636 1.0077.64 8 O ATOM 145 N LEU A 18 16.650 54.502 −2.715 1.00 73.64 7 N ATOM146 CA LEU A 18 17.295 55.813 −2.774 1.00 70.08 6 C ATOM 147 C LEU A 1818.278 56.027 −1.638 1.00 68.32 6 C ATOM 148 O LEU A 18 17.945 55.924−0.463 1.00 69.03 8 O ATOM 149 CB LEU A 18 16.151 56.795 −2.820 1.0070.56 6 C ATOM 150 CG LEU A 18 14.841 56.681 −3.579 1.00 69.33 6 C ATOM151 CD1 LEU A 18 13.995 57.916 −3.217 1.00 68.34 6 C ATOM 152 CD2 LEU A18 14.911 56.617 −5.082 1.00 66.83 6 C ATOM 153 N THR A 19 19.512 56.365−1.988 1.00 66.52 7 N ATOM 154 CA THR A 19 20.546 56.643 −1.005 1.0065.07 6 C ATOM 155 C THR A 19 19.902 57.295 0.227 1.00 66.10 6 C ATOM156 O THR A 19 19.108 58.245 0.141 1.00 65.68 8 O ATOM 157 CB THR A 1921.677 57.462 −1.604 1.00 63.90 6 C ATOM 158 OG1 THR A 19 21.561 58.804−1.217 1.00 63.50 8 O ATOM 159 CG2 THR A 19 21.645 57.367 −3.143 1.0065.35 6 C ATOM 160 N SER A 20 20.194 56.707 1.398 1.00 64.66 7 N ATOM161 CA SER A 20 19.593 57.211 2.630 1.00 65.02 6 C ATOM 162 C SER A 2020.526 57.963 3.551 1.00 62.89 6 C ATOM 163 O SER A 20 20.022 58.4374.554 1.00 61.99 8 O ATOM 164 CB SER A 20 18.856 56.060 3.322 1.00 67.586 C ATOM 165 OG SER A 20 19.502 54.832 2.929 1.00 71.93 8 O ATOM 166 NSER A 21 21.805 58.160 3.316 1.00 61.78 7 N ATOM 167 CA SER A 21 22.68058.957 4.149 1.00 61.68 6 C ATOM 168 C SER A 21 23.575 59.691 3.137 1.0059.24 6 C ATOM 169 O SER A 21 23.748 59.187 2.029 1.00 59.16 8 O ATOM170 CB SER A 21 23.803 58.300 5.015 1.00 62.18 6 C ATOM 171 OG SER A 2123.699 58.475 6.401 0.00 30.00 8 O ATOM 172 N HIS A 22 24.231 60.7103.644 1.00 57.13 7 N ATOM 173 CA HIS A 22 25.178 61.396 2.806 1.00 58.096 C ATOM 174 C HIS A 22 26.417 60.508 2.747 1.00 57.37 6 C ATOM 175 OHIS A 22 27.368 60.885 2.076 1.00 58.77 8 O ATOM 176 CB HIS A 22 25.61362.720 3.444 1.00 62.64 6 C ATOM 177 CG HIS A 22 26.243 62.418 4.7811.00 64.55 6 C ATOM 178 ND1 HIS A 22 25.477 61.778 5.724 1.00 67.21 7 NATOM 179 CD2 HIS A 22 27.442 62.619 5.340 1.00 65.40 6 C ATOM 180 CE1HIS A 22 26.184 61.588 6.840 1.00 68.44 6 C ATOM 181 NE2 HIS A 22 27.38862.098 6.620 1.00 67.27 7 N ATOM 182 N LEU A 23 26.460 59.352 3.424 1.0054.28 7 N ATOM 183 CA LEU A 23 27.606 58.477 3.365 1.00 51.08 6 C ATOM184 C LEU A 23 27.502 57.730 2.053 1.00 50.64 6 C ATOM 185 O LEU A 2328.485 57.104 1.620 1.00 55.30 8 O ATOM 186 CB LEU A 23 27.656 57.5664.586 1.00 50.86 6 C ATOM 187 CG LEU A 23 28.116 58.228 5.867 1.00 48.976 C ATOM 188 CD1 LEU A 23 27.806 57.396 7.080 1.00 49.29 6 C ATOM 189CD2 LEU A 23 29.624 58.488 5.764 1.00 51.85 6 C ATOM 190 N GLY A 2426.338 57.804 1.443 1.00 47.10 7 N ATOM 191 CA GLY A 24 26.130 57.1520.164 1.00 49.42 6 C ATOM 192 C GLY A 24 25.393 55.820 0.294 1.00 48.866 C ATOM 193 O GLY A 24 24.814 55.434 1.316 1.00 48.17 8 O ATOM 194 NLYS A 25 25.447 55.071 −0.811 1.00 49.55 7 N ATOM 195 CA LYS A 25 24.75553.757 −0.780 1.00 50.51 6 C ATOM 196 C LYS A 25 25.776 52.638 −0.8341.00 46.78 6 C ATOM 197 O LYS A 25 26.871 52.803 −1.377 1.00 48.22 8 OATOM 198 CB LYS A 25 23.841 53.546 −2.007 1.00 55.99 6 C ATOM 199 CG LYSA 25 22.786 52.855 −1.747 0.00 25.00 6 C ATOM 200 CD LYS A 25 22.26152.228 −3.001 0.00 25.00 6 C ATOM 201 CE LYS A 25 20.808 52.581 −3.1830.00 25.00 6 C ATOM 202 NZ LYS A 25 20.345 52.281 −4.556 0.00 25.00 7 NATOM 203 N PRO A 26 25.395 51.533 −0.210 1.00 42.68 7 N ATOM 204 CA PROA 26 26.320 50.416 −0.166 1.00 39.07 6 C ATOM 205 C PRO A 26 26.34549.728 −1.500 1.00 37.59 6 C ATOM 206 O PRO A 26 25.274 49.603 −2.0531.00 39.43 8 O ATOM 207 CB PRO A 26 25.588 49.529 0.799 1.00 39.98 6 CATOM 208 CG PRO A 26 24.547 50.256 1.531 1.00 37.68 6 C ATOM 209 CD PROA 26 24.158 51.252 0.517 1.00 40.06 6 C ATOM 210 N ASP A 27 27.42049.247 −2.009 1.00 35.64 7 N ATOM 211 CA ASP A 27 27.545 48.466 −3.2011.00 37.19 6 C ATOM 212 C ASP A 27 27.456 47.022 −2.677 1.00 38.07 6 CATOM 213 O ASP A 27 28.207 46.505 −1.869 1.00 39.12 8 O ATOM 214 CB ASPA 27 28.864 48.815 −3.935 1.00 39.81 6 C ATOM 215 CG ASP A 27 29.50647.686 −4.668 1.00 45.42 6 C ATOM 216 OD1 ASP A 27 28.889 46.758 −5.2241.00 44.60 8 O ATOM 217 OD2 ASP A 27 30.776 47.651 −4.731 1.00 51.68 8 OATOM 218 N TYR A 28 26.500 46.248 −3.116 1.00 38.37 7 N ATOM 219 CA TYRA 28 26.290 44.874 −2.769 1.00 39.05 6 C ATOM 220 C TYR A 28 27.50643.992 −2.995 1.00 39.20 6 C ATOM 221 O TYR A 28 27.885 43.196 −2.1091.00 39.63 8 O ATOM 222 CB TYR A 28 25.161 44.248 −3.554 1.00 37.78 6 CATOM 223 CG TYR A 28 24.883 42.820 −3.190 1.00 43.82 6 C ATOM 224 CD1TYR A 28 24.630 42.441 −1.848 1.00 43.26 6 C ATOM 225 CD2 TYR A 2824.855 41.814 −4.145 1.00 43.70 6 C ATOM 226 CE1 TYR A 28 24.370 41.150−1.494 1.00 43.70 6 C ATOM 227 CE2 TYR A 28 24.593 40.497 −3.794 1.0045.14 6 C ATOM 228 CZ TYR A 28 24.353 40.176 −2.475 1.00 46.75 6 C ATOM229 OH TYR A 28 24.088 38.852 −2.127 1.00 49.65 8 O ATOM 230 N ALA A 2928.118 44.137 −4.154 1.00 38.45 7 N ATOM 231 CA ALA A 29 29.293 43.320−4.471 1.00 36.75 6 C ATOM 232 C ALA A 29 30.397 43.636 −3.484 1.0037.07 6 C ATOM 233 O ALA A 29 30.906 42.611 −3.013 1.00 40.68 8 O ATOM234 CB ALA A 29 29.675 43.419 −5.951 1.00 35.51 6 C ATOM 235 N LYS A 3030.724 44.873 −3.132 1.00 36.07 7 N ATOM 236 CA LYS A 30 31.769 45.125−2.179 1.00 35.27 6 C ATOM 237 C LYS A 30 31.412 44.610 −0.791 1.0035.07 6 C ATOM 238 O LYS A 30 32.260 44.103 −0.018 1.00 36.78 8 O ATOM239 CB LYS A 30 32.210 46.627 −2.194 1.00 33.83 6 C ATOM 240 CG LYS A 3033.512 46.994 −1.388 0.00 25.00 6 C ATOM 241 CD LYS A 30 33.478 48.478−1.025 0.00 25.00 6 C ATOM 242 CE LYS A 30 34.867 49.107 −1.015 0.0025.00 6 C ATOM 243 NZ LYS A 30 34.812 50.554 −0.646 0.00 25.00 7 N ATOM244 N ALA A 31 30.151 44.794 −0.461 1.00 31.95 7 N ATOM 245 CA ALA A 3129.601 44.424 0.839 1.00 31.96 6 C ATOM 246 C ALA A 31 29.650 42.8920.961 1.00 31.51 6 C ATOM 247 O ALA A 31 29.888 42.490 2.085 1.00 31.068 O ATOM 248 CB ALA A 31 28.214 44.966 1.100 1.00 27.97 6 C ATOM 249 NLEU A 32 29.459 42.206 −0.135 1.00 32.78 7 N ATOM 250 CA LEU A 32 29.56940.723 −0.129 1.00 33.84 6 C ATOM 251 C LEU A 32 31.019 40.336 0.1931.00 30.39 6 C ATOM 252 O LEU A 32 31.167 39.560 1.144 1.00 28.93 8 OATOM 253 CB LEU A 32 28.998 40.056 −1.364 1.00 32.99 6 C ATOM 254 CG LEUA 32 28.619 38.587 −1.260 1.00 35.14 6 C ATOM 255 CD1 LEU A 32 27.32638.356 −0.487 1.00 32.70 6 C ATOM 256 CD2 LEU A 32 28.525 37.877 −2.5981.00 32.76 6 C ATOM 257 N GLU A 33 32.027 40.967 −0.413 1.00 29.36 7 NATOM 258 CA GLU A 33 33.427 40.684 −0.066 1.00 27.36 6 C ATOM 259 C GLUA 33 33.765 41.061 1.353 1.00 26.68 6 C ATOM 260 O GLU A 33 34.51640.325 2.076 1.00 28.43 8 O ATOM 261 CB GLU A 33 34.342 41.482 −1.0221.00 30.91 6 C ATOM 262 CG GLU A 33 34.295 41.095 −2.505 1.00 36.30 6 CATOM 263 CD GLU A 33 34.571 39.589 −2.719 1.00 39.53 6 C ATOM 264 OE1GLU A 33 35.544 39.077 −2.093 1.00 41.03 8 O ATOM 265 OE2 GLU A 3333.855 38.898 −3.482 1.00 38.49 8 O ATOM 266 N GLN A 34 33.222 42.1951.834 1.00 24.37 7 N ATOM 267 CA GLN A 34 33.634 42.548 3.212 1.00 24.506 C ATOM 268 C GLN A 34 33.089 41.578 4.208 1.00 22.24 6 C ATOM 269 OGLN A 34 33.615 41.228 5.187 1.00 20.90 8 O ATOM 270 CB GLN A 34 33.23143.990 3.516 1.00 29.92 6 C ATOM 271 CG GLN A 34 33.547 44.925 2.3441.00 31.30 6 C ATOM 272 CD GLN A 34 33.268 46.357 2.828 1.00 34.98 6 CATOM 273 OE1 GLN A 34 32.247 46.581 3.474 1.00 31.81 8 O ATOM 274 NE2GLN A 34 34.210 47.253 2.482 1.00 38.64 7 N ATOM 275 N HIS A 35 31.89241.017 3.975 1.00 26.42 7 N ATOM 276 CA HIS A 35 31.321 40.014 4.8861.00 24.26 6 C ATOM 277 C HIS A 35 32.137 38.700 4.891 1.00 24.90 6 CATOM 278 O HIS A 35 32.294 38.019 5.940 1.00 26.43 8 O ATOM 279 CB HIS A35 29.935 39.705 4.474 1.00 19.66 6 C ATOM 280 CG HIS A 35 29.174 38.9395.525 1.00 19.66 6 C ATOM 281 ND1 HIS A 35 28.586 39.491 6.663 1.0023.22 7 N ATOM 282 CD2 HIS A 35 28.907 37.656 5.590 1.00 16.13 6 C ATOM283 CE1 HIS A 35 27.999 38.556 7.362 1.00 19.13 6 C ATOM 284 NE2 HIS A35 28.210 37.408 6.669 1.00 19.06 7 N ATOM 285 N ASN A 36 32.619 38.3873.706 1.00 22.39 7 N ATOM 286 CA ASN A 36 33.459 37.246 3.425 1.00 25.006 C ATOM 287 C ASN A 36 34.767 37.520 4.147 1.00 25.39 6 C ATOM 288 OASN A 36 35.217 36.692 4.941 1.00 23.90 8 O ATOM 289 CB ASN A 36 33.50936.969 1.903 1.00 30.86 6 C ATOM 290 CG ASN A 36 34.376 35.698 1.8021.00 36.31 6 C ATOM 291 OD1 ASN A 36 33.942 34.697 2.429 1.00 42.74 8 OATOM 292 ND2 ASN A 36 35.487 35.636 1.128 1.00 34.95 7 N ATOM 293 N ALAA 37 35.340 38.726 4.082 1.00 27.26 7 N ATOM 294 CA ALA A 37 36.57638.991 4.893 1.00 27.51 6 C ATOM 295 C ALA A 37 36.270 38.906 6.365 1.0026.90 6 C ATOM 296 O ALA A 37 37.158 38.436 7.137 1.00 31.57 8 O ATOM297 CB ALA A 37 37.315 40.313 4.538 1.00 20.67 6 C ATOM 298 N TYR A 3835.037 39.243 6.763 1.00 25.18 7 N ATOM 299 CA TYR A 38 34.700 39.1658.192 1.00 24.23 6 C ATOM 300 C TYR A 38 34.626 37.717 8.671 1.00 25.056 C ATOM 301 O TYR A 38 34.994 37.434 9.818 1.00 24.85 8 O ATOM 302 CBTYR A 38 33.301 39.805 8.345 1.00 21.85 6 C ATOM 303 CG TYR A 38 32.63539.904 9.700 1.00 21.49 6 C ATOM 304 CD1 TYR A 38 33.161 40.779 10.7181.00 22.78 6 C ATOM 305 CD2 TYR A 38 31.530 39.185 10.007 1.00 19.03 6 CATOM 306 CE1 TYR A 38 32.521 40.850 11.953 1.00 22.09 6 C ATOM 307 CE2TYR A 38 30.895 39.272 11.274 1.00 22.37 6 C ATOM 308 CZ TYR A 38 31.43540.139 12.245 1.00 19.79 6 C ATOM 309 OH TYR A 38 30.794 40.198 13.4591.00 24.81 8 O ATOM 310 N ILE A 39 34.010 36.817 7.874 1.00 24.91 7 NATOM 311 CA ILE A 39 33.890 35.378 8.217 1.00 24.75 6 C ATOM 312 C ILE A39 35.299 34.824 8.290 1.00 26.52 6 C ATOM 313 O ILE A 39 35.680 34.2199.311 1.00 27.63 8 O ATOM 314 CB ILE A 39 32.953 34.577 7.319 1.00 25.526 C ATOM 315 CG1 ILE A 39 31.526 35.142 7.344 1.00 20.50 6 C ATOM 316CG2 ILE A 39 32.852 33.062 7.550 1.00 23.99 6 C ATOM 317 CD1 ILE A 3930.963 35.229 8.795 1.00 18.38 6 C ATOM 318 N ARG A 40 36.182 35.1137.346 1.00 26.60 7 N ATOM 319 CA ARG A 40 37.585 34.640 7.440 1.00 25.376 C ATOM 320 C ARG A 40 38.293 35.124 8.655 1.00 29.74 6 C ATOM 321 OARG A 40 39.078 34.325 9.252 1.00 34.08 8 O ATOM 322 CB ARG A 40 38.38335.051 6.188 1.00 22.95 6 C ATOM 323 CG ARG A 40 37.635 34.265 5.0291.00 22.33 6 C ATOM 324 CD ARG A 40 38.201 34.598 3.648 1.00 22.04 6 CATOM 325 NE ARG A 40 39.322 33.696 3.499 1.00 24.22 7 N ATOM 326 CZ ARGA 40 40.161 33.452 2.557 1.00 28.66 6 C ATOM 327 NH1 ARG A 40 39.92134.235 1.476 1.00 35.84 7 N ATOM 328 NH2 ARG A 40 41.144 32.532 2.6561.00 28.13 7 N ATOM 329 N ALA A 41 38.066 36.414 9.057 1.00 28.06 7 NATOM 330 CA ALA A 41 38.789 36.730 10.332 1.00 24.37 6 C ATOM 331 C ALAA 41 38.211 35.884 11.419 1.00 27.29 6 C ATOM 332 O ALA A 41 38.98135.368 12.235 1.00 34.11 8 O ATOM 333 CB ALA A 41 38.661 38.192 10.5891.00 21.19 6 C ATOM 334 N LEU A 42 36.880 35.712 11.486 1.00 25.91 7 NATOM 335 CA LEU A 42 36.330 34.941 12.577 1.00 26.34 6 C ATOM 336 C LEUA 42 36.847 33.531 12.559 1.00 29.26 6 C ATOM 337 O LEU A 42 37.17732.927 13.577 1.00 34.17 8 O ATOM 338 CB LEU A 42 34.804 35.006 12.4551.00 24.15 6 C ATOM 339 CG LEU A 42 34.234 36.390 12.903 1.00 25.87 6 CATOM 340 CD1 LEU A 42 32.756 36.586 12.400 1.00 24.15 6 C ATOM 341 CD2LEU A 42 34.408 36.600 14.359 1.00 18.61 6 C ATOM 342 N GLN A 43 37.00532.834 11.476 1.00 30.44 7 N ATOM 343 CA GLN A 43 37.531 31.513 11.2841.00 32.34 6 C ATOM 344 C GLN A 43 38.868 31.338 11.982 1.00 34.70 6 CATOM 345 O GLN A 43 39.280 30.241 12.267 1.00 37.30 8 O ATOM 346 CB GLNA 43 37.685 31.240 9.777 1.00 30.76 6 C ATOM 347 CG GLN A 43 36.42330.706 9.193 1.00 30.88 6 C ATOM 348 CD GLN A 43 36.618 30.485 7.7051.00 32.57 6 C ATOM 349 OE1 GLN A 43 36.771 29.314 7.310 1.00 35.75 8 OATOM 350 NE2 GLN A 43 36.621 31.494 6.878 1.00 28.89 7 N ATOM 351 N THRA 44 39.625 32.363 12.270 1.00 35.85 7 N ATOM 352 CA THR A 44 40.87432.334 13.040 1.00 36.77 6 C ATOM 353 C THR A 44 40.596 32.444 14.5031.00 36.18 6 C ATOM 354 O THR A 44 41.463 32.091 15.258 1.00 39.71 8 OATOM 355 CB THR A 44 41.475 33.594 12.385 1.00 38.69 6 C ATOM 356 OG1THR A 44 42.219 33.125 11.253 1.00 38.83 8 O ATOM 357 CG2 THR A 4442.108 34.565 13.297 1.00 41.01 6 C ATOM 358 N CYS A 45 39.486 32.82615.098 1.00 34.29 7 N ATOM 359 CA CYS A 45 39.262 32.976 16.528 1.0034.07 6 C ATOM 360 C CYS A 45 38.895 31.770 17.346 1.00 35.08 6 C ATOM361 O CYS A 45 38.372 31.905 18.469 1.00 37.73 8 O ATOM 362 CB CYS A 4538.172 34.104 16.630 1.00 29.98 6 C ATOM 363 SG CYS A 45 38.733 35.57215.712 1.00 35.91 16 S ATOM 364 N ASP A 46 39.156 30.549 16.939 1.0034.71 7 N ATOM 365 CA ASP A 46 38.871 29.321 17.661 1.00 35.36 6 C ATOM366 C ASP A 46 37.423 29.288 18.109 1.00 33.28 6 C ATOM 367 O ASP A 4637.030 29.221 19.240 1.00 30.74 8 O ATOM 368 CB ASP A 46 39.725 29.14718.913 1.00 43.62 6 C ATOM 369 CG ASP A 46 41.210 29.107 18.615 1.0053.54 6 C ATOM 370 OD1 ASP A 46 41.667 27.985 18.258 1.00 57.92 8 O ATOM371 OD2 ASP A 46 41.909 30.164 18.731 1.00 57.53 8 O ATOM 372 N VAL A 4736.513 29.370 17.184 1.00 32.70 7 N ATOM 373 CA VAL A 47 35.070 29.38317.424 1.00 29.52 6 C ATOM 374 C VAL A 47 34.492 28.729 16.239 1.0028.10 6 C ATOM 375 O VAL A 47 35.166 28.715 15.152 1.00 29.55 8 O ATOM376 CB VAL A 47 34.833 30.912 17.555 1.00 33.41 6 C ATOM 377 CG1 VAL A47 34.380 31.531 16.254 1.00 29.25 6 C ATOM 378 CG2 VAL A 47 34.00731.245 18.801 1.00 33.11 6 C ATOM 379 N ASP A 48 33.343 28.104 16.3951.00 27.21 7 N ATOM 380 CA ASP A 48 32.774 27.580 15.137 1.00 28.52 6 CATOM 381 C ASP A 48 31.769 28.656 14.700 1.00 26.68 6 C ATOM 382 O ASP A48 31.218 29.457 15.487 1.00 25.75 8 O ATOM 383 CB ASP A 48 32.22326.210 15.169 1.00 33.17 6 C ATOM 384 CG ASP A 48 31.303 25.949 16.2871.00 37.40 6 C ATOM 385 OD1 ASP A 48 30.661 26.975 16.604 1.00 39.92 8 OATOM 386 OD2 ASP A 48 31.210 24.818 16.825 1.00 41.59 8 O ATOM 387 N ILEA 49 31.421 28.693 13.459 1.00 24.70 7 N ATOM 388 CA ILE A 49 30.56329.648 12.852 1.00 25.72 6 C ATOM 389 C ILE A 49 29.294 29.073 12.3081.00 30.12 6 C ATOM 390 O ILE A 49 29.420 28.144 11.491 1.00 35.34 8 OATOM 391 CB ILE A 49 31.383 30.196 11.675 1.00 25.39 6 C ATOM 392 CG1ILE A 49 32.551 31.010 12.334 1.00 21.19 6 C ATOM 393 CG2 ILE A 4930.593 31.039 10.713 1.00 25.74 6 C ATOM 394 CD1 ILE A 49 33.519 31.60511.415 1.00 20.51 6 C ATOM 395 N THR A 50 28.102 29.590 12.616 1.0027.07 7 N ATOM 396 CA THR A 50 26.904 29.167 11.983 1.00 23.13 6 C ATOM397 C THR A 50 26.636 30.260 10.921 1.00 25.15 6 C ATOM 398 O THR A 5026.468 31.382 11.444 1.00 28.58 8 O ATOM 399 CB THR A 50 25.876 29.00713.008 1.00 21.68 6 C ATOM 400 OG1 THR A 50 26.374 27.840 13.652 1.0027.10 8 O ATOM 401 CG2 THR A 50 24.512 28.613 12.406 1.00 22.71 6 C ATOM402 N LEU A 51 26.758 30.078 9.646 1.00 20.93 7 N ATOM 403 CA LEU A 5126.555 31.164 8.633 1.00 20.68 6 C ATOM 404 C LEU A 51 25.206 30.9857.990 1.00 23.53 6 C ATOM 405 O LEU A 51 24.907 29.912 7.333 1.00 26.608 O ATOM 406 CB LEU A 51 27.515 31.105 7.466 1.00 18.66 6 C ATOM 407 CGLEU A 51 27.808 32.163 6.448 1.00 23.76 6 C ATOM 408 CD1 LEU A 51 27.63433.633 6.985 1.00 25.13 6 C ATOM 409 CD2 LEU A 51 29.272 32.111 5.9531.00 18.53 6 C ATOM 410 N LEU A 52 24.264 31.863 8.260 1.00 22.18 7 NATOM 411 CA LEU A 52 22.944 31.643 7.687 1.00 20.34 6 C ATOM 412 C LEU A52 22.813 32.323 6.304 1.00 18.64 6 C ATOM 413 O LEU A 52 23.523 33.2095.981 1.00 16.87 8 O ATOM 414 CB LEU A 52 21.913 32.266 8.646 1.00 22.306 C ATOM 415 CG LEU A 52 21.869 31.698 10.069 1.00 25.14 6 C ATOM 416CD1 LEU A 52 20.888 32.486 10.925 1.00 20.85 6 C ATOM 417 CD2 LEU A 5221.698 30.196 10.156 1.00 19.64 6 C ATOM 418 N PRO A 53 21.862 31.8695.487 1.00 19.01 7 N ATOM 419 CA PRO A 53 21.541 32.307 4.134 1.00 21.416 C ATOM 420 C PRO A 53 20.860 33.676 4.099 1.00 24.30 6 C ATOM 421 OPRO A 53 20.235 34.099 5.066 1.00 24.47 8 O ATOM 422 CB PRO A 53 20.59631.209 3.559 1.00 16.73 6 C ATOM 423 CG PRO A 53 19.898 30.852 4.9221.00 18.80 6 C ATOM 424 CD PRO A 53 20.980 30.688 5.927 1.00 14.11 6 CATOM 425 N PRO A 54 21.057 34.395 2.991 1.00 27.10 7 N ATOM 426 CA PRO A54 20.486 35.714 2.805 1.00 28.32 6 C ATOM 427 C PRO A 54 18.958 35.4942.774 1.00 33.08 6 C ATOM 428 O PRO A 54 18.427 34.440 2.454 1.00 33.868 O ATOM 429 CB PRO A 54 20.982 36.164 1.477 1.00 26.61 6 C ATOM 430 CGPRO A 54 21.568 34.994 0.750 1.00 24.83 6 C ATOM 431 CD PRO A 54 21.74333.904 1.752 1.00 26.69 6 C ATOM 432 N ASP A 55 18.268 36.487 3.265 1.0035.16 7 N ATOM 433 CA ASP A 55 16.823 36.534 3.287 1.00 34.29 6 C ATOM434 C ASP A 55 16.507 37.924 2.692 1.00 36.97 6 C ATOM 435 O ASP A 5516.690 38.977 3.307 1.00 38.84 8 O ATOM 436 CB ASP A 55 16.302 36.3284.666 1.00 30.78 6 C ATOM 437 CG ASP A 55 14.861 35.884 4.624 1.00 31.366 C ATOM 438 OD1 ASP A 55 14.110 36.272 3.724 1.00 27.22 8 O ATOM 439OD2 ASP A 55 14.436 35.104 5.533 1.00 35.57 8 O ATOM 440 N GLU A 5616.123 37.953 1.432 1.00 36.78 7 N ATOM 441 CA GLU A 56 15.791 39.1120.617 1.00 37.87 6 C ATOM 442 C GLU A 56 14.580 39.853 1.197 1.00 38.056 C ATOM 443 O GLU A 56 14.430 41.039 0.910 1.00 37.55 8 O ATOM 444 CBGLU A 56 15.498 38.777 −0.858 1.00 35.35 6 C ATOM 445 CG GLU A 56 16.79538.184 −1.450 1.00 35.32 6 C ATOM 446 CD GLU A 56 17.818 39.281 −1.5441.00 38.08 6 C ATOM 447 OE1 GLU A 56 17.541 40.468 −1.313 1.00 38.12 8 OATOM 448 OE2 GLU A 56 18.990 39.066 −1.860 1.00 43.09 8 O ATOM 449 N ARGA 57 13.843 39.171 2.045 1.00 35.05 7 N ATOM 450 CA ARG A 57 12.72439.843 2.681 1.00 35.86 6 C ATOM 451 C ARG A 57 13.212 40.797 3.768 1.0036.89 6 C ATOM 452 O ARG A 57 12.455 41.624 4.194 1.00 33.57 8 O ATOM453 CB ARG A 57 11.888 38.743 3.347 1.00 35.40 6 C ATOM 454 CG ARG A 5710.912 38.015 2.428 1.00 35.86 6 C ATOM 455 CD ARG A 57 10.280 36.8673.207 1.00 41.11 6 C ATOM 456 NE ARG A 57 11.270 36.029 3.844 1.00 43.627 N ATOM 457 CZ ARG A 57 10.953 35.017 4.665 1.00 46.02 6 C ATOM 458 NH1ARG A 57 9.696 34.728 4.934 1.00 42.67 7 N ATOM 459 NH2 ARG A 57 11.93834.273 5.231 1.00 43.71 7 N ATOM 460 N PHE A 58 14.438 40.663 4.314 1.0035.40 7 N ATOM 461 CA PHE A 58 15.008 41.468 5.356 1.00 31.50 6 C ATOM462 C PHE A 58 16.387 42.033 5.068 1.00 32.43 6 C ATOM 463 O PHE A 5817.450 41.521 5.488 1.00 33.72 8 O ATOM 464 CB PHE A 58 15.074 40.7056.680 1.00 31.73 6 C ATOM 465 CG PHE A 58 13.701 40.229 7.072 1.00 33.556 C ATOM 466 CD1 PHE A 58 13.300 38.954 6.778 1.00 36.83 6 C ATOM 467CD2 PHE A 58 12.814 41.074 7.728 1.00 33.80 6 C ATOM 468 CE1 PHE A 5812.020 38.538 7.155 1.00 38.15 6 C ATOM 469 CE2 PHE A 58 11.565 40.5978.067 1.00 35.99 6 C ATOM 470 CZ PHE A 58 11.107 39.324 7.801 1.00 32.906 C ATOM 471 N PRO A 59 16.410 43.217 4.454 1.00 31.86 7 N ATOM 472 CAPRO A 59 17.581 43.912 4.059 1.00 30.00 6 C ATOM 473 C PRO A 59 18.58944.017 5.140 1.00 32.05 6 C ATOM 474 O PRO A 59 19.772 44.013 4.860 1.0033.61 8 O ATOM 475 CB PRO A 59 17.044 45.334 3.666 1.00 30.27 6 C ATOM476 CG PRO A 59 15.663 45.043 3.097 1.00 29.24 6 C ATOM 477 CD PRO A 5915.138 43.887 3.908 1.00 32.56 6 C ATOM 478 N ASP A 60 18.215 44.2216.378 1.00 31.89 7 N ATOM 479 CA ASP A 60 19.159 44.372 7.490 1.00 32.416 C ATOM 480 C ASP A 60 19.373 43.034 8.180 1.00 30.02 6 C ATOM 481 OASP A 60 20.027 43.030 9.222 1.00 28.97 8 O ATOM 482 CB ASP A 60 18.47345.419 8.447 1.00 33.85 6 C ATOM 483 CG ASP A 60 18.483 46.809 7.8421.00 37.89 6 C ATOM 484 OD1 ASP A 60 19.584 47.413 7.628 1.00 40.07 8 OATOM 485 OD2 ASP A 60 17.477 47.484 7.504 1.00 37.08 8 O ATOM 486 N SERA 61 18.901 41.884 7.663 1.00 27.23 7 N ATOM 487 CA SER A 61 19.10840.675 8.457 1.00 28.36 6 C ATOM 488 C SER A 61 20.571 40.358 8.543 1.0025.73 6 C ATOM 489 O SER A 61 20.863 39.528 9.372 1.00 26.88 8 O ATOM490 CB SER A 61 18.446 39.326 8.002 1.00 30.66 6 C ATOM 491 OG SER A 6118.346 39.409 6.583 1.00 31.07 8 O ATOM 492 N VAL A 62 21.477 40.9577.796 1.00 25.63 7 N ATOM 493 CA VAL A 62 22.886 40.693 7.991 1.00 24.546 C ATOM 494 C VAL A 62 23.212 41.164 9.417 1.00 26.53 6 C ATOM 495 OVAL A 62 24.216 40.638 9.917 1.00 27.73 8 O ATOM 496 CB VAL A 62 23.69241.490 6.961 1.00 24.13 6 C ATOM 497 CG1 VAL A 62 23.411 43.008 7.2271.00 23.39 6 C ATOM 498 CG2 VAL A 62 25.158 41.192 7.192 1.00 21.16 6 CATOM 499 N PHE A 63 22.471 42.087 10.044 1.00 25.99 7 N ATOM 500 CA PHEA 63 22.816 42.475 11.383 1.00 29.11 6 C ATOM 501 C PHE A 63 22.19841.513 12.409 1.00 30.42 6 C ATOM 502 O PHE A 63 21.319 42.034 13.1021.00 31.13 8 O ATOM 503 CB PHE A 63 22.402 43.933 11.718 1.00 27.93 6 CATOM 504 CG PHE A 63 23.108 44.821 10.712 1.00 30.27 6 C ATOM 505 CD1PHE A 63 22.362 45.629 9.886 1.00 30.49 6 C ATOM 506 CD2 PHE A 63 24.48444.846 10.591 1.00 29.21 6 C ATOM 507 CE1 PHE A 63 23.043 46.425 8.9731.00 32.10 6 C ATOM 508 CE2 PHE A 63 25.101 45.646 9.687 1.00 28.92 6 CATOM 509 CZ PHE A 63 24.399 46.453 8.857 1.00 30.37 6 C ATOM 510 N VAL A64 22.737 40.319 12.539 1.00 27.88 7 N ATOM 511 CA VAL A 64 22.14639.359 13.474 1.00 28.28 6 C ATOM 512 C VAL A 64 22.247 39.792 14.8981.00 27.87 6 C ATOM 513 O VAL A 64 21.486 39.271 15.721 1.00 27.81 8 OATOM 514 CB VAL A 64 22.650 37.897 13.246 1.00 27.99 6 C ATOM 515 CG1VAL A 64 22.457 37.544 11.757 1.00 28.02 6 C ATOM 516 CG2 VAL A 6424.151 37.702 13.542 1.00 23.97 6 C ATOM 517 N GLU A 65 23.149 40.68815.298 1.00 28.38 7 N ATOM 518 CA GLU A 65 23.162 41.104 16.702 1.0026.08 6 C ATOM 519 C GLU A 65 21.794 41.581 17.187 1.00 27.45 6 C ATOM520 O GLU A 65 21.359 41.282 18.311 1.00 28.15 8 O ATOM 521 CB GLU A 6524.117 42.274 16.802 1.00 26.92 6 C ATOM 522 CG GLU A 65 24.126 42.97618.166 1.00 28.58 6 C ATOM 523 CD GLU A 65 25.444 43.678 18.345 1.0029.06 6 C ATOM 524 OE1 GLU A 65 25.436 44.798 17.749 1.00 33.68 8 O ATOM525 OE2 GLU A 65 26.445 43.278 18.963 1.00 32.32 8 O ATOM 526 N ASP A 6620.928 42.265 16.482 1.00 27.02 7 N ATOM 527 CA ASP A 66 19.685 42.88916.884 1.00 27.62 6 C ATOM 528 C ASP A 66 18.592 42.019 17.391 1.0029.94 6 C ATOM 529 O ASP A 66 18.132 42.178 18.504 1.00 32.85 8 O ATOM530 CB ASP A 66 19.270 43.962 15.878 1.00 26.56 6 C ATOM 531 CG ASP A 6620.317 45.071 16.092 1.00 31.25 6 C ATOM 532 OD1 ASP A 66 20.776 45.42317.242 1.00 31.97 8 O ATOM 533 OD2 ASP A 66 20.701 45.606 15.037 1.0033.10 8 O ATOM 534 N PRO A 67 18.252 40.968 16.679 1.00 31.77 7 N ATOM535 CA PRO A 67 17.241 40.053 17.099 1.00 29.37 6 C ATOM 536 C PRO A 6717.448 39.096 18.233 1.00 31.41 6 C ATOM 537 O PRO A 67 16.420 38.42818.510 1.00 33.18 8 O ATOM 538 CB PRO A 67 17.007 39.275 15.820 1.0029.86 6 C ATOM 539 CG PRO A 67 18.124 39.550 14.879 1.00 30.41 6 C ATOM540 CD PRO A 67 18.796 40.796 15.288 1.00 28.88 6 C ATOM 541 N VAL A 6818.545 38.836 18.945 1.00 30.40 7 N ATOM 542 CA VAL A 68 18.566 37.86119.992 1.00 30.34 6 C ATOM 543 C VAL A 68 19.749 38.300 20.924 1.0032.47 6 C ATOM 544 O VAL A 68 20.667 38.844 20.297 1.00 31.27 8 O ATOM545 CB VAL A 68 19.125 36.464 19.600 1.00 35.49 6 C ATOM 546 CG1 VAL A68 18.744 35.303 20.591 1.00 34.53 6 C ATOM 547 CG2 VAL A 68 18.82535.953 18.206 1.00 32.75 6 C ATOM 548 N LEU A 69 19.707 38.056 22.2381.00 31.41 7 N ATOM 549 CA LEU A 69 20.848 38.340 23.076 1.00 31.10 6 CATOM 550 C LEU A 69 21.246 36.867 23.499 1.00 33.71 6 C ATOM 551 O LEU A69 20.281 36.154 23.947 1.00 35.34 8 O ATOM 552 CB LEU A 69 20.49339.033 24.357 1.00 30.39 6 C ATOM 553 CG LEU A 69 21.585 39.543 25.2351.00 31.74 6 C ATOM 554 CD1 LEU A 69 22.129 40.700 24.478 1.00 34.28 6 CATOM 555 CD2 LEU A 69 21.021 40.087 26.597 1.00 35.48 6 C ATOM 556 N CYSA 70 22.512 36.453 23.382 1.00 28.50 7 N ATOM 557 CA CYS A 70 22.89235.110 23.763 1.00 31.35 6 C ATOM 558 C CYS A 70 23.740 35.209 25.0151.00 33.80 6 C ATOM 559 O CYS A 70 24.825 35.818 25.027 1.00 34.34 8 OATOM 560 CB CYS A 70 23.669 34.344 22.642 1.00 30.28 6 C ATOM 561 SG CYSA 70 22.537 34.093 21.181 1.00 31.35 16 S ATOM 562 N THR A 71 23.19134.599 26.079 1.00 37.46 7 N ATOM 563 CA THR A 71 23.943 34.709 27.3741.00 39.71 6 C ATOM 564 C THR A 71 24.364 33.291 27.651 1.00 41.48 6 CATOM 565 O THR A 71 23.934 32.399 26.862 1.00 40.94 8 O ATOM 566 CB THRA 71 22.978 35.210 28.439 1.00 40.24 6 C ATOM 567 OG1 THR A 71 21.96334.199 28.561 1.00 41.56 8 O ATOM 568 CG2 THR A 71 22.220 36.426 27.8921.00 35.95 6 C ATOM 569 N SER A 72 25.101 33.143 28.755 1.00 40.00 7 NATOM 570 CA SER A 72 25.581 31.806 29.099 1.00 36.31 6 C ATOM 571 C SERA 72 24.528 30.976 29.745 1.00 39.27 6 C ATOM 572 O SER A 72 24.86229.901 30.231 1.00 42.43 8 O ATOM 573 CB SER A 72 26.722 32.061 30.0841.00 36.25 6 C ATOM 574 OG SER A 72 26.050 32.650 31.246 1.00 38.53 8 OATOM 575 N ARG A 73 23.269 31.374 29.815 1.00 41.04 7 N ATOM 576 CA ARGA 73 22.253 30.594 30.513 1.00 41.40 6 C ATOM 577 C ARG A 73 21.00730.606 29.636 1.00 41.34 6 C ATOM 578 O ARG A 73 20.221 29.603 29.7121.00 46.04 8 O ATOM 579 CB ARG A 73 21.886 31.161 31.891 1.00 42.16 6 CATOM 580 CG ARG A 73 23.019 31.575 32.797 1.00 45.77 6 C ATOM 581 CD ARGA 73 23.324 30.953 34.112 1.00 52.47 6 C ATOM 582 NE ARG A 73 24.33531.693 34.896 1.00 57.98 7 N ATOM 583 CZ ARG A 73 24.030 32.484 35.9241.00 60.40 6 C ATOM 584 NH1 ARG A 73 22.736 32.598 36.246 1.00 61.61 7 NATOM 585 NH2 ARG A 73 24.892 33.178 36.673 1.00 61.75 7 N ATOM 586 N CYSA 74 20.710 31.598 28.861 1.00 36.56 7 N ATOM 587 CA CYS A 74 19.48031.523 28.068 1.00 36.88 6 C ATOM 588 C CYS A 74 19.781 32.340 26.8131.00 36.05 6 C ATOM 589 O CYS A 74 20.922 32.871 26.697 1.00 39.58 8 OATOM 590 CB CYS A 74 18.243 32.088 28.757 1.00 38.40 6 C ATOM 591 SG CYSA 74 18.228 33.865 29.190 1.00 44.59 16 S ATOM 592 N ALA A 75 18.82632.448 25.950 1.00 33.14 7 N ATOM 593 CA ALA A 75 18.936 33.349 24.8021.00 34.63 6 C ATOM 594 C ALA A 75 17.502 34.003 24.768 1.00 35.44 6 CATOM 595 O ALA A 75 16.518 33.291 24.962 1.00 34.93 8 O ATOM 596 CB ALAA 75 19.081 32.821 23.392 1.00 30.52 6 C ATOM 597 N ILE A 76 17.44935.303 24.486 1.00 31.88 7 N ATOM 598 CA ILE A 76 16.184 35.976 24.4561.00 29.70 6 C ATOM 599 C ILE A 76 15.913 36.491 23.063 1.00 31.68 6 CATOM 600 O ILE A 76 16.698 37.327 22.461 1.00 33.66 8 O ATOM 601 CB ILEA 76 16.336 37.135 25.556 1.00 27.80 6 C ATOM 602 CG1 ILE A 76 16.55436.637 26.977 1.00 25.83 6 C ATOM 603 CG2 ILE A 76 15.039 37.917 25.4171.00 28.27 6 C ATOM 604 CD1 ILE A 76 18.051 36.626 27.434 1.00 26.23 6 CATOM 605 N ILE A 77 14.858 36.049 22.385 1.00 30.90 7 N ATOM 606 CA ILEA 77 14.575 36.590 21.050 1.00 30.11 6 C ATOM 607 C ILE A 77 14.14338.023 21.386 1.00 35.09 6 C ATOM 608 O ILE A 77 13.316 38.193 22.3331.00 40.24 8 O ATOM 609 CB ILE A 77 13.415 35.862 20.399 1.00 31.67 6 CATOM 610 CG1 ILE A 77 13.730 34.348 20.277 1.00 36.56 6 C ATOM 611 CG2ILE A 77 13.104 36.323 19.020 1.00 30.14 6 C ATOM 612 CD1 ILE A 7714.871 34.067 19.291 1.00 35.01 6 C ATOM 613 N THR A 78 14.594 39.07920.731 1.00 34.47 7 N ATOM 614 CA THR A 78 14.250 40.418 21.124 1.0034.03 6 C ATOM 615 C THR A 78 13.042 40.818 20.333 1.00 37.00 6 C ATOM616 O THR A 78 12.410 39.875 19.847 1.00 40.06 8 O ATOM 617 CB THR A 7815.445 41.352 20.839 1.00 34.73 6 C ATOM 618 OG1 THR A 78 15.675 41.36119.426 1.00 32.31 8 O ATOM 619 CG2 THR A 78 16.626 40.878 21.655 1.0033.05 6 C ATOM 620 N ARG A 79 12.657 42.037 20.165 1.00 35.94 7 N ATOM621 CA ARG A 79 11.470 42.447 19.415 1.00 35.29 6 C ATOM 622 C ARG A 7911.799 43.911 18.998 1.00 36.78 6 C ATOM 623 O ARG A 79 11.549 44.92219.678 1.00 35.76 8 O ATOM 624 CB ARG A 79 10.239 42.405 20.346 1.0035.77 6 C ATOM 625 CG ARG A 79 9.019 42.873 19.475 1.00 35.31 6 C ATOM626 CD ARG A 79 7.767 42.511 20.291 1.00 38.35 6 C ATOM 627 NE ARG A 796.672 43.036 19.491 1.00 40.63 7 N ATOM 628 CZ ARG A 79 6.259 44.29719.463 1.00 40.32 6 C ATOM 629 NH1 ARG A 79 6.881 45.176 20.222 1.0036.52 7 N ATOM 630 NH2 ARG A 79 5.223 44.527 18.634 1.00 41.78 7 N ATOM631 N PRO A 80 12.467 44.008 17.880 1.00 38.93 7 N ATOM 632 CA PRO A 8013.033 45.210 17.333 1.00 40.61 6 C ATOM 633 C PRO A 80 12.051 46.34217.159 1.00 39.05 6 C ATOM 634 O PRO A 80 10.957 46.079 16.775 1.0038.29 8 O ATOM 635 CB PRO A 80 13.750 44.827 16.035 1.00 39.62 6 C ATOM636 CG PRO A 80 13.892 43.361 16.076 1.00 39.34 6 C ATOM 637 CD PRO A 8012.841 42.846 16.997 1.00 42.12 6 C ATOM 638 N GLY A 81 12.531 47.51917.455 1.00 39.77 7 N ATOM 639 CA GLY A 81 11.646 48.721 17.314 1.0042.41 6 C ATOM 640 C GLY A 81 11.427 48.926 15.845 1.00 43.43 6 C ATOM641 O GLY A 81 10.312 49.167 15.466 1.00 45.38 8 O ATOM 642 N ALA A 8212.470 48.772 15.016 1.00 43.72 7 N ATOM 643 CA ALA A 82 12.173 48.95613.580 1.00 44.48 6 C ATOM 644 C ALA A 82 11.273 47.818 13.146 1.0047.68 6 C ATOM 645 O ALA A 82 11.586 46.630 13.236 1.00 47.18 8 O ATOM646 CB ALA A 82 13.490 49.036 12.825 1.00 43.34 6 C ATOM 647 N GLU A 8310.118 48.087 12.596 1.00 49.49 7 N ATOM 648 CA GLU A 83 9.143 47.14312.091 1.00 49.64 6 C ATOM 649 C GLU A 83 9.499 46.477 10.787 1.00 48.166 C ATOM 650 O GLU A 83 8.974 45.518 10.209 1.00 49.66 8 O ATOM 651 CBGLU A 83 7.964 48.151 12.044 1.00 53.64 6 C ATOM 652 CG GLU A 83 6.70147.375 11.869 1.00 59.06 6 C ATOM 653 CD GLU A 83 5.460 48.049 12.4141.00 62.18 6 C ATOM 654 OE1 GLU A 83 5.534 49.082 13.106 1.00 62.90 8 OATOM 655 OE2 GLU A 83 4.448 47.385 12.033 1.00 63.18 8 O ATOM 656 N SERA 84 10.562 46.983 10.170 1.00 46.07 7 N ATOM 657 CA SER A 84 11.00346.316 8.922 1.00 44.81 6 C ATOM 658 C SER A 84 11.939 45.178 9.293 1.0043.65 6 C ATOM 659 O SER A 84 12.152 44.366 8.463 1.00 45.26 8 O ATOM660 CB SER A 84 11.668 47.313 8.002 1.00 43.66 6 C ATOM 661 OG SER A 8412.899 47.794 8.427 1.00 43.12 8 O ATOM 662 N ARG A 85 12.488 45.12710.482 1.00 42.86 7 N ATOM 663 CA ARG A 85 13.381 44.159 11.014 1.0040.83 6 C ATOM 664 C ARG A 85 12.690 43.281 12.071 1.00 42.90 6 C ATOM665 O ARG A 85 13.337 42.399 12.628 1.00 43.73 8 O ATOM 666 CB ARG A 8514.579 44.866 11.679 1.00 35.86 6 C ATOM 667 CG ARG A 85 15.290 45.94510.891 1.00 30.73 6 C ATOM 668 CD ARG A 85 16.770 46.158 11.316 1.0027.47 6 C ATOM 669 NE ARG A 85 17.367 44.829 11.518 1.00 27.90 7 N ATOM670 CZ ARG A 85 18.460 44.602 12.226 1.00 28.75 6 C ATOM 671 NH1 ARG A85 19.104 45.611 12.811 1.00 25.10 7 N ATOM 672 NH2 ARG A 85 18.87843.311 12.323 1.00 29.00 7 N ATOM 673 N ARG A 86 11.412 43.441 12.3511.00 42.27 7 N ATOM 674 CA ARG A 86 10.793 42.613 13.391 1.00 43.53 6 CATOM 675 C ARG A 86 10.651 41.159 13.014 1.00 42.53 6 C ATOM 676 O ARG A86 10.894 40.317 13.902 1.00 41.77 8 O ATOM 677 CB ARG A 86 9.478 43.23313.904 1.00 45.21 6 C ATOM 678 CG ARG A 86 8.998 42.836 15.269 1.0045.81 6 C ATOM 679 CD ARG A 86 7.966 43.769 15.870 1.00 50.08 6 C ATOM680 NE ARG A 86 8.533 45.042 16.316 1.00 52.09 7 N ATOM 681 CZ ARG A 867.852 46.184 16.325 1.00 54.44 6 C ATOM 682 NH1 ARG A 86 6.597 46.12215.899 1.00 55.12 7 N ATOM 683 NH2 ARG A 86 8.314 47.370 16.716 1.0054.52 7 N ATOM 684 N GLY A 87 10.306 40.753 11.814 1.00 41.30 7 N ATOM685 CA GLY A 87 10.214 39.368 11.411 1.00 38.40 6 C ATOM 686 C GLY A 8711.594 38.725 11.390 1.00 37.29 6 C ATOM 687 O GLY A 87 11.646 37.52811.374 1.00 37.00 8 O ATOM 688 N GLU A 88 12.737 39.395 11.492 1.0034.87 7 N ATOM 689 CA GLU A 88 14.028 38.747 11.507 1.00 33.51 6 C ATOM690 C GLU A 88 14.070 37.846 12.725 1.00 36.42 6 C ATOM 691 O GLU A 8814.853 36.869 12.683 1.00 39.36 8 O ATOM 692 CB GLU A 88 15.202 39.72111.476 1.00 31.83 6 C ATOM 693 CG GLU A 88 15.237 40.606 10.230 1.0026.70 6 C ATOM 694 CD GLU A 88 16.268 41.678 10.478 1.00 30.70 6 C ATOM695 OE1 GLU A 88 17.242 41.345 11.210 1.00 31.05 8 O ATOM 696 OE2 GLU A88 16.182 42.849 9.996 1.00 30.69 8 O ATOM 697 N THR A 89 13.240 38.10013.769 1.00 34.68 7 N ATOM 698 CA THR A 89 13.225 37.183 14.882 1.0035.28 6 C ATOM 699 C THR A 89 12.697 35.837 14.444 1.00 35.41 6 C ATOM700 O THR A 89 13.190 34.803 14.881 1.00 38.37 8 O ATOM 701 CB THR A 8912.315 37.721 16.003 1.00 40.06 6 C ATOM 702 OG1 THR A 89 11.000 37.92315.417 1.00 42.92 8 O ATOM 703 CG2 THR A 89 12.844 39.051 16.491 1.0040.29 6 C ATOM 704 N GLU A 90 11.741 35.652 13.589 1.00 34.81 7 N ATOM705 CA GLU A 90 11.225 34.363 13.233 1.00 39.76 6 C ATOM 706 C GLU A 9012.142 33.512 12.396 1.00 39.51 6 C ATOM 707 O GLU A 90 11.909 32.32312.437 1.00 40.76 8 O ATOM 708 CB GLU A 90 9.875 34.461 12.518 1.0044.99 6 C ATOM 709 CG GLU A 90 8.826 35.215 13.362 1.00 55.34 6 C ATOM710 CD GLU A 90 7.485 35.264 12.648 1.00 59.16 6 C ATOM 711 OE1 GLU A 907.639 35.121 11.403 1.00 61.89 8 O ATOM 712 OE2 GLU A 90 6.444 35.42813.331 1.00 61.11 8 O ATOM 713 N ILE A 91 13.089 33.970 11.623 1.0038.04 7 N ATOM 714 CA ILE A 91 14.010 33.282 10.769 1.00 33.30 6 C ATOM715 C ILE A 91 15.337 33.072 11.508 1.00 34.96 6 C ATOM 716 O ILE A 9116.279 32.582 10.883 1.00 37.55 8 O ATOM 717 CB ILE A 91 14.461 34.0749.501 1.00 29.78 6 C ATOM 718 CG1 ILE A 91 14.929 35.487 9.792 1.0027.82 6 C ATOM 719 CG2 ILE A 91 13.329 34.252 8.509 1.00 27.01 6 C ATOM720 CD1 ILE A 91 15.487 36.167 8.500 1.00 26.88 6 C ATOM 721 N ILE A 9215.504 33.451 12.773 1.00 31.69 7 N ATOM 722 CA ILE A 92 16.737 33.12613.420 1.00 29.83 6 C ATOM 723 C ILE A 92 16.469 32.149 14.588 1.0029.38 6 C ATOM 724 O ILE A 92 17.417 31.545 15.161 1.00 32.63 8 O ATOM725 CB ILE A 92 17.417 34.418 13.954 1.00 29.20 6 C ATOM 726 CG1 ILE A92 18.886 34.099 14.253 1.00 30.18 6 C ATOM 727 CG2 ILE A 92 16.69634.887 15.184 1.00 29.20 6 C ATOM 728 CD1 ILE A 92 19.833 35.226 14.3821.00 30.71 6 C ATOM 729 N GLU A 93 15.230 32.013 14.953 1.00 29.73 7 NATOM 730 CA GLU A 93 14.835 31.228 16.131 1.00 36.81 6 C ATOM 731 C GLUA 93 15.119 29.738 16.071 1.00 35.23 6 C ATOM 732 O GLU A 93 15.46529.149 17.065 1.00 37.35 8 O ATOM 733 CB GLU A 93 13.359 31.422 16.4421.00 41.55 6 C ATOM 734 CG GLU A 93 13.048 30.875 17.846 1.00 48.03 6 CATOM 735 CD GLU A 93 11.632 31.345 18.213 1.00 50.63 6 C ATOM 736 OE1GLU A 93 11.245 32.438 17.716 1.00 53.99 8 O ATOM 737 OE2 GLU A 9311.041 30.556 18.978 1.00 51.98 8 O ATOM 738 N GLU A 94 14.996 29.17414.903 1.00 35.33 7 N ATOM 739 CA GLU A 94 15.297 27.766 14.775 1.0038.81 6 C ATOM 740 C GLU A 94 16.763 27.512 15.120 1.00 35.59 6 C ATOM741 O GLU A 94 16.956 26.483 15.774 1.00 35.01 8 O ATOM 742 CB GLU A 9414.829 27.314 13.405 1.00 43.28 6 C ATOM 743 CG GLU A 94 15.015 25.76613.291 1.00 51.17 6 C ATOM 744 CD GLU A 94 14.677 25.506 11.825 1.0059.39 6 C ATOM 745 OE1 GLU A 94 13.478 25.861 11.536 1.00 63.20 8 O ATOM746 OE2 GLU A 94 15.621 24.993 11.122 1.00 60.88 8 O ATOM 747 N THR A 9517.733 28.277 14.763 1.00 31.81 7 N ATOM 748 CA THR A 95 19.140 28.20815.095 1.00 31.15 6 C ATOM 749 C THR A 95 19.338 28.436 16.605 1.0033.49 6 C ATOM 750 O THR A 95 20.129 27.781 17.195 1.00 34.78 8 O ATOM751 CB THR A 95 19.838 29.418 14.413 1.00 29.04 6 C ATOM 752 OG1 THR A95 19.760 29.421 12.983 1.00 30.97 8 O ATOM 753 CG2 THR A 95 21.29829.662 14.678 1.00 25.39 6 C ATOM 754 N VAL A 96 18.685 29.463 17.2221.00 33.86 7 N ATOM 755 CA VAL A 96 18.805 29.735 18.636 1.00 34.31 6 CATOM 756 C VAL A 96 18.238 28.541 19.407 1.00 33.71 6 C ATOM 757 O VAL A96 18.779 28.050 20.390 1.00 35.38 8 O ATOM 758 CB VAL A 96 18.04431.042 19.033 1.00 38.10 6 C ATOM 759 CG1 VAL A 96 18.272 31.294 20.5341.00 36.05 6 C ATOM 760 CG2 VAL A 96 18.594 32.243 18.292 1.00 38.55 6 CATOM 761 N GLN A 97 17.132 28.008 19.034 1.00 35.46 7 N ATOM 762 CA GLNA 97 16.490 26.836 19.706 1.00 39.88 6 C ATOM 763 C GLN A 97 17.51125.724 19.685 1.00 41.14 6 C ATOM 764 O GLN A 97 17.895 25.107 20.6971.00 43.77 8 O ATOM 765 CB GLN A 97 15.201 26.607 18.960 1.00 43.60 6 CATOM 766 CG GLN A 97 13.866 26.203 19.571 1.00 46.07 6 C ATOM 767 CD GLNA 97 13.459 27.128 20.702 1.00 49.58 6 C ATOM 768 OE1 GLN A 97 14.10727.041 21.771 1.00 52.10 8 O ATOM 769 NE2 GLN A 97 12.432 27.980 20.4761.00 49.48 7 N ATOM 770 N ARG A 98 18.135 25.469 18.517 1.00 40.51 7 NATOM 771 CA ARG A 98 19.174 24.420 18.423 1.00 39.90 6 C ATOM 772 C ARGA 98 20.281 24.661 19.415 1.00 39.65 6 C ATOM 773 O ARG A 98 20.84923.731 20.014 1.00 39.01 8 O ATOM 774 CB ARG A 98 19.643 24.291 16.9971.00 40.97 6 C ATOM 775 CG ARG A 98 20.592 23.145 16.802 1.00 47.01 6 CATOM 776 CD ARG A 98 20.961 22.873 15.356 1.00 48.84 6 C ATOM 777 NE ARGA 98 19.688 22.730 14.627 1.00 52.18 7 N ATOM 778 CZ ARG A 98 19.40423.711 13.696 1.00 54.11 6 C ATOM 779 NH1 ARG A 98 20.263 24.734 13.4851.00 54.13 7 N ATOM 780 NH2 ARG A 98 18.264 23.565 13.056 1.00 51.43 7 NATOM 781 N PHE A 99 20.657 25.939 19.742 1.00 37.30 7 N ATOM 782 CA PHEA 99 21.701 26.060 20.760 1.00 33.66 6 C ATOM 783 C PHE A 99 21.16426.169 22.186 1.00 34.15 6 C ATOM 784 O PHE A 99 22.009 25.843 23.0491.00 30.59 8 O ATOM 785 CB PHE A 99 22.534 27.197 20.399 1.00 32.59 6 CATOM 786 CG PHE A 99 23.627 26.988 19.392 1.00 31.53 6 C ATOM 787 CD1PHE A 99 23.404 27.328 18.095 1.00 32.45 6 C ATOM 788 CD2 PHE A 9924.836 26.483 19.706 1.00 30.64 6 C ATOM 789 CE1 PHE A 99 24.336 27.18017.105 1.00 31.13 6 C ATOM 790 CE2 PHE A 99 25.823 26.306 18.770 1.0034.28 6 C ATOM 791 CZ PHE A 99 25.559 26.659 17.457 1.00 31.49 6 C ATOM792 N TYR A 100 19.901 26.612 22.394 1.00 32.63 7 N ATOM 793 CA TYR A100 19.429 26.741 23.802 1.00 35.26 6 C ATOM 794 C TYR A 100 18.13025.979 23.946 1.00 38.30 6 C ATOM 795 O TYR A 100 16.977 26.506 23.9561.00 40.25 8 O ATOM 796 CB TYR A 100 19.151 28.285 23.974 1.00 35.82 6 CATOM 797 CG TYR A 100 20.392 29.175 24.023 1.00 36.46 6 C ATOM 798 CD1TYR A 100 20.968 29.724 22.864 1.00 34.32 6 C ATOM 799 CD2 TYR A 10021.039 29.505 25.218 1.00 35.11 6 C ATOM 800 CE1 TYR A 100 22.083 30.52722.898 1.00 30.64 6 C ATOM 801 CE2 TYR A 100 22.154 30.304 25.252 1.0034.76 6 C ATOM 802 CZ TYR A 100 22.675 30.814 24.072 1.00 33.66 6 C ATOM803 OH TYR A 100 23.820 31.635 24.106 1.00 36.77 8 O ATOM 804 N PRO A101 18.120 24.649 23.904 1.00 40.09 7 N ATOM 805 CA PRO A 101 16.90823.843 24.026 1.00 40.17 6 C ATOM 806 C PRO A 101 16.228 24.097 25.3861.00 40.13 6 C ATOM 807 O PRO A 101 16.955 23.974 26.401 1.00 40.99 8 OATOM 808 CB PRO A 101 17.413 22.390 24.074 1.00 40.04 6 C ATOM 809 CGPRO A 101 18.790 22.467 23.532 1.00 39.11 6 C ATOM 810 CD PRO A 10119.354 23.793 23.918 1.00 40.38 6 C ATOM 811 N GLY A 102 14.949 24.38225.354 1.00 40.76 7 N ATOM 812 CA GLY A 102 14.222 24.718 26.601 1.0044.59 6 C ATOM 813 C GLY A 102 14.866 25.971 27.225 1.00 47.47 6 C ATOM814 O GLY A 102 14.799 26.143 28.462 1.00 49.92 8 O ATOM 815 N LYS A 10315.553 26.880 26.528 1.00 44.75 7 N ATOM 816 CA LYS A 103 16.237 28.01727.139 1.00 44.40 6 C ATOM 817 C LYS A 103 16.254 29.267 26.270 1.0043.17 6 C ATOM 818 O LYS A 103 17.185 29.974 25.932 1.00 43.94 8 O ATOM819 CB LYS A 103 17.571 27.528 27.680 1.00 44.34 6 C ATOM 820 CG LYS A103 17.552 26.647 28.910 1.00 46.68 6 C ATOM 821 CD LYS A 103 18.79326.587 29.803 1.00 50.58 6 C ATOM 822 CE LYS A 103 18.519 25.793 31.0821.00 52.97 6 C ATOM 823 NZ LYS A 103 17.647 26.586 32.060 1.00 55.23 7 NATOM 824 N VAL A 104 15.060 29.619 25.777 1.00 42.29 7 N ATOM 825 CA VALA 104 14.775 30.705 24.897 1.00 42.00 6 C ATOM 826 C VAL A 104 13.45631.343 25.398 1.00 43.92 6 C ATOM 827 O VAL A 104 12.403 30.698 25.4781.00 42.97 8 O ATOM 828 CB VAL A 104 14.494 30.241 23.445 1.00 42.88 6 CATOM 829 CG1 VAL A 104 13.950 31.398 22.619 1.00 43.51 6 C ATOM 830 CG2VAL A 104 15.612 29.471 22.813 1.00 40.32 6 C ATOM 831 N GLU A 10513.621 32.610 25.692 1.00 43.72 7 N ATOM 832 CA GLU A 105 12.761 33.62026.190 1.00 41.83 6 C ATOM 833 C GLU A 105 12.443 34.633 25.107 1.0042.14 6 C ATOM 834 O GLU A 105 13.210 34.806 24.153 1.00 45.11 8 O ATOM835 CB GLU A 105 13.624 34.303 27.291 1.00 38.98 6 C ATOM 836 CG GLU A105 13.983 33.371 28.439 1.00 41.72 6 C ATOM 837 CD GLU A 105 12.92833.052 29.517 1.00 42.10 6 C ATOM 838 OE1 GLU A 105 11.789 33.532 29.3151.00 40.77 8 O ATOM 839 OE2 GLU A 105 13.236 32.343 30.526 1.00 40.18 8O ATOM 840 N ARG A 106 11.383 35.397 25.131 1.00 41.29 7 N ATOM 841 CAARG A 106 11.176 36.461 24.164 1.00 43.12 6 C ATOM 842 C ARG A 10610.605 37.720 24.849 1.00 45.10 6 C ATOM 843 O ARG A 106 10.026 37.69425.929 1.00 45.31 8 O ATOM 844 CB ARG A 106 10.213 35.916 23.137 1.0045.78 6 C ATOM 845 CG ARG A 106 8.870 35.537 23.708 1.00 48.14 6 C ATOM846 CD ARG A 106 8.137 34.478 22.888 1.00 48.35 6 C ATOM 847 NE ARG A106 8.927 33.267 22.722 1.00 51.35 7 N ATOM 848 CZ ARG A 106 9.60332.813 21.691 1.00 52.60 6 C ATOM 849 NH1 ARG A 106 9.621 33.520 20.5691.00 55.59 7 N ATOM 850 NH2 ARG A 106 10.285 31.679 21.679 1.00 52.87 7N ATOM 851 N ILE A 107 10.745 38.865 24.204 1.00 43.65 7 N ATOM 852 CAILE A 107 10.269 40.150 24.650 1.00 41.38 6 C ATOM 853 C ILE A 107 8.85440.191 24.048 1.00 43.58 6 C ATOM 854 O ILE A 107 8.821 39.707 22.9181.00 42.63 8 O ATOM 855 CB ILE A 107 11.133 41.256 24.008 1.00 36.51 6 CATOM 856 CG1 ILE A 107 12.518 41.318 24.557 1.00 31.56 6 C ATOM 857 CG2ILE A 107 10.466 42.617 23.980 1.00 33.96 6 C ATOM 858 CD1 ILE A 10712.949 41.641 25.913 1.00 36.74 6 C ATOM 859 N GLU A 108 7.835 40.80024.700 1.00 44.37 7 N ATOM 860 CA GLU A 108 6.540 40.792 24.025 1.0043.69 6 C ATOM 861 C GLU A 108 6.041 42.221 23.857 1.00 46.06 6 C ATOM862 O GLU A 108 6.484 43.206 24.491 1.00 47.24 8 O ATOM 863 CB GLU A 1085.504 40.045 24.919 0.00 25.00 6 C ATOM 864 CG GLU A 108 6.016 38.63925.119 0.00 25.00 6 C ATOM 865 CD GLU A 108 5.329 37.654 26.028 0.0025.00 6 C ATOM 866 OE1 GLU A 108 4.431 38.059 26.836 0.00 25.00 8 O ATOM867 OE2 GLU A 108 5.773 36.451 25.855 0.00 25.00 8 O ATOM 868 N ALA A109 5.071 42.322 22.942 1.00 45.41 7 N ATOM 869 CA ALA A 109 4.50143.659 22.667 1.00 45.88 6 C ATOM 870 C ALA A 109 3.910 44.084 24.0071.00 45.31 6 C ATOM 871 O ALA A 109 3.595 43.176 24.779 1.00 50.50 8 OATOM 872 CB ALA A 109 3.548 43.534 21.506 1.00 45.38 6 C ATOM 873 N PROA 110 3.800 45.374 24.302 1.00 42.28 7 N ATOM 874 CA PRO A 110 4.23746.413 23.349 1.00 40.12 6 C ATOM 875 C PRO A 110 5.711 46.723 23.5661.00 40.31 6 C ATOM 876 O PRO A 110 6.115 47.802 23.125 1.00 39.46 8 OATOM 877 CB PRO A 110 3.314 47.563 23.768 1.00 38.26 6 C ATOM 878 CG PROA 110 3.321 47.474 25.280 1.00 40.82 6 C ATOM 879 CD PRO A 110 3.31845.976 25.562 1.00 40.91 6 C ATOM 880 N GLY A 111 6.461 45.872 24.2771.00 39.16 7 N ATOM 881 CA GLY A 111 7.840 46.112 24.541 1.00 40.19 6 CATOM 882 C GLY A 111 8.643 46.053 23.243 1.00 41.90 6 C ATOM 883 O GLY A111 8.303 45.435 22.223 1.00 38.66 8 O ATOM 884 N THR A 112 9.824 46.68723.265 1.00 41.17 7 N ATOM 885 CA THR A 112 10.676 46.697 22.069 1.0040.27 6 C ATOM 886 C THR A 112 12.117 46.654 22.537 1.00 40.12 6 C ATOM887 O THR A 112 12.398 47.313 23.506 1.00 39.55 8 O ATOM 888 CB THR A112 10.364 48.070 21.497 1.00 39.68 6 C ATOM 889 OG1 THR A 112 9.73548.090 20.247 1.00 42.26 8 O ATOM 890 CG2 THR A 112 11.534 49.005 21.5311.00 38.78 6 C ATOM 891 N VAL A 113 13.037 45.933 21.922 1.00 38.93 7 NATOM 892 CA VAL A 113 14.430 45.783 22.191 1.00 36.67 6 C ATOM 893 C VALA 113 15.173 45.373 20.921 1.00 37.87 6 C ATOM 894 O VAL A 113 14.79244.603 20.019 1.00 37.62 8 O ATOM 895 CB VAL A 113 14.761 44.622 23.1811.00 36.65 6 C ATOM 896 CG1 VAL A 113 16.258 44.564 23.459 1.00 30.81 6C ATOM 897 CG2 VAL A 113 13.901 44.606 24.450 1.00 33.03 6 C ATOM 898 NGLU A 114 16.394 45.867 20.815 1.00 38.05 7 N ATOM 899 CA GLU A 11417.362 45.547 19.755 1.00 35.00 6 C ATOM 900 C GLU A 114 18.674 45.36620.509 1.00 32.56 6 C ATOM 901 O GLU A 114 19.189 46.184 21.193 1.0031.41 8 O ATOM 902 CB GLU A 114 17.394 46.527 18.628 1.00 38.58 6 C ATOM903 CG GLU A 114 16.249 46.168 17.650 1.00 36.40 6 C ATOM 904 CD GLU A114 16.135 47.284 16.662 1.00 35.71 6 C ATOM 905 OE1 GLU A 114 17.19947.884 16.486 1.00 34.52 8 O ATOM 906 OE2 GLU A 114 15.077 47.592 16.0571.00 39.16 8 O ATOM 907 N ALA A 115 19.194 44.155 20.376 1.00 30.00 7 NATOM 908 CA ALA A 115 20.335 43.696 21.138 1.00 29.49 6 C ATOM 909 C ALAA 115 21.590 44.444 20.876 1.00 29.53 6 C ATOM 910 O ALA A 115 22.56344.299 21.602 1.00 31.95 8 O ATOM 911 CB ALA A 115 20.133 42.179 21.1911.00 29.07 6 C ATOM 912 N GLY A 116 21.724 45.328 19.895 1.00 31.85 7 NATOM 913 CA GLY A 116 22.840 46.240 19.657 1.00 31.94 6 C ATOM 914 C GLYA 116 22.744 47.370 20.662 1.00 34.52 6 C ATOM 915 O GLY A 116 23.64048.242 20.800 1.00 35.55 8 O ATOM 916 N ASP A 117 21.641 47.378 21.4551.00 34.55 7 N ATOM 917 CA ASP A 117 21.574 48.358 22.542 1.00 36.04 6 CATOM 918 C ASP A 117 22.160 47.689 23.783 1.00 37.55 6 C ATOM 919 O ASPA 117 22.252 48.404 24.724 1.00 38.40 8 O ATOM 920 CB ASP A 117 20.14848.750 22.861 1.00 33.87 6 C ATOM 921 CG ASP A 117 19.850 49.909 21.8991.00 37.67 6 C ATOM 922 OD1 ASP A 117 20.873 50.677 21.707 1.00 40.16 8O ATOM 923 OD2 ASP A 117 18.704 49.989 21.419 1.00 32.57 8 O ATOM 924 NILE A 118 22.547 46.397 23.769 1.00 37.87 7 N ATOM 925 CA ILE A 11822.991 45.736 24.990 1.00 39.06 6 C ATOM 926 C ILE A 118 24.469 45.47425.098 1.00 40.33 6 C ATOM 927 O ILE A 118 24.885 44.966 24.094 1.0039.46 8 O ATOM 928 CB ILE A 118 22.106 44.471 25.060 1.00 38.79 6 C ATOM929 CG1 ILE A 118 20.606 44.856 25.170 1.00 39.69 6 C ATOM 930 CG2 ILE A118 22.371 43.562 26.247 1.00 38.21 6 C ATOM 931 CD1 ILE A 118 19.68743.707 25.551 1.00 42.13 6 C ATOM 932 N MET A 119 25.229 45.803 26.1651.00 41.54 7 N ATOM 933 CA MET A 119 26.662 45.475 26.237 1.00 38.31 6 CATOM 934 C MET A 119 26.817 44.542 27.470 1.00 38.93 6 C ATOM 935 O META 119 26.437 44.882 28.624 1.00 41.46 8 O ATOM 936 CB MET A 119 27.63246.584 26.393 1.00 34.91 6 C ATOM 937 CG MET A 119 29.034 46.328 26.8751.00 34.29 6 C ATOM 938 SD MET A 119 29.904 47.915 26.648 1.00 37.77 16S ATOM 939 CE MET A 119 29.000 48.848 28.022 1.00 36.89 6 C ATOM 940 NMET A 120 27.389 43.405 27.146 1.00 36.43 7 N ATOM 941 CA MET A 12027.529 42.336 28.145 1.00 37.80 6 C ATOM 942 C MET A 120 28.853 42.46128.862 1.00 37.66 6 C ATOM 943 O MET A 120 29.865 42.465 28.147 1.0036.08 8 O ATOM 944 CB MET A 120 27.212 40.965 27.498 1.00 33.68 6 C ATOM945 CG MET A 120 27.661 39.785 28.363 1.00 34.78 6 C ATOM 946 SD MET A120 27.577 38.142 27.521 1.00 30.80 16 S ATOM 947 CE MET A 120 29.27038.294 26.853 1.00 18.64 6 C ATOM 948 N VAL A 121 28.769 42.649 30.2011.00 37.29 7 N ATOM 949 CA VAL A 121 30.047 42.767 30.938 1.00 38.31 6 CATOM 950 C VAL A 121 29.936 41.742 32.082 1.00 41.51 6 C ATOM 951 O VALA 121 29.038 41.742 32.950 1.00 43.73 8 O ATOM 952 CB VAL A 121 30.43744.109 31.471 1.00 39.13 6 C ATOM 953 CG1 VAL A 121 31.740 44.207 32.2751.00 36.25 6 C ATOM 954 CG2 VAL A 121 30.531 45.101 30.335 1.00 38.99 6C ATOM 955 N GLY A 122 30.902 40.785 31.971 1.00 41.64 7 N ATOM 956 CAGLY A 122 30.885 39.762 33.027 1.00 39.80 6 C ATOM 957 C GLY A 12229.457 39.258 32.949 1.00 42.33 6 C ATOM 958 O GLY A 122 29.256 38.73531.869 1.00 40.94 8 O ATOM 959 N ASP A 123 28.615 39.375 33.984 1.0045.79 7 N ATOM 960 CA ASP A 123 27.271 38.767 33.884 1.00 44.61 6 C ATOM961 C ASP A 123 26.250 39.883 33.943 1.00 43.53 6 C ATOM 962 O ASP A 12325.073 39.551 34.179 1.00 42.53 8 O ATOM 963 CB ASP A 123 26.912 37.76434.839 0.00 25.00 6 C ATOM 964 CG ASP A 123 27.276 36.395 34.264 0.0025.00 6 C ATOM 965 OD1 ASP A 123 27.654 36.220 33.073 0.00 25.00 8 OATOM 966 OD2 ASP A 123 27.189 35.398 35.018 0.00 25.00 8 O ATOM 967 NHIS A 124 26.806 41.112 33.784 1.00 40.63 7 N ATOM 968 CA HIS A 12425.896 42.232 33.900 1.00 41.61 6 C ATOM 969 C HIS A 124 25.639 42.71332.484 1.00 43.02 6 C ATOM 970 O HIS A 124 26.494 42.782 31.558 1.0042.86 8 O ATOM 971 CB HIS A 124 26.337 43.411 34.792 1.00 43.00 6 C ATOM972 CG HIS A 124 25.257 44.427 34.884 1.00 42.26 6 C ATOM 973 ND1 HIS A124 24.151 44.211 35.685 1.00 45.36 7 N ATOM 974 CD2 HIS A 124 25.10145.630 34.293 1.00 44.30 6 C ATOM 975 CE1 HIS A 124 23.333 45.264 35.5901.00 45.50 6 C ATOM 976 NE2 HIS A 124 23.892 46.143 34.744 1.00 46.53 7N ATOM 977 N PHE A 125 24.326 43.045 32.288 1.00 42.09 7 N ATOM 978 CAPHE A 125 23.991 43.530 30.952 1.00 41.35 6 C ATOM 979 C PHE A 12523.595 44.989 30.906 1.00 41.21 6 C ATOM 980 O PHE A 125 22.483 45.31631.348 1.00 43.44 8 O ATOM 981 CB PHE A 125 22.895 42.642 30.284 1.0041.55 6 C ATOM 982 CG PHE A 125 23.410 41.264 29.919 1.00 39.91 6 C ATOM983 CD1 PHE A 125 23.752 40.364 30.906 1.00 36.89 6 C ATOM 984 CD2 PHE A125 23.533 40.907 28.566 1.00 39.75 6 C ATOM 985 CE1 PHE A 125 24.22339.115 30.561 1.00 40.59 6 C ATOM 986 CE2 PHE A 125 24.001 39.654 28.2201.00 40.95 6 C ATOM 987 CZ PHE A 125 24.355 38.740 29.235 1.00 42.30 6 CATOM 988 N TYR A 126 24.401 45.887 30.348 1.00 38.97 7 N ATOM 989 CA TYRA 126 23.992 47.298 30.272 1.00 39.21 6 C ATOM 990 C TYR A 126 23.09247.459 29.062 1.00 42.09 6 C ATOM 991 O TYR A 126 23.473 47.058 27.9471.00 45.16 8 O ATOM 992 CB TYR A 126 25.146 48.235 30.154 1.00 40.40 6 CATOM 993 CG TYR A 126 26.133 48.224 31.276 1.00 42.20 6 C ATOM 994 CD1TYR A 126 27.220 47.392 31.288 1.00 40.99 6 C ATOM 995 CD2 TYR A 12625.919 49.122 32.368 1.00 45.58 6 C ATOM 996 CE1 TYR A 126 28.112 47.42932.374 1.00 45.13 6 C ATOM 997 CE2 TYR A 126 26.811 49.151 33.443 1.0045.27 6 C ATOM 998 CZ TYR A 126 27.883 48.304 33.414 1.00 44.54 6 C ATOM999 OH TYR A 126 28.775 48.301 34.436 1.00 51.91 8 O ATOM 1000 N ILE A127 21.895 48.021 29.163 1.00 44.05 7 N ATOM 1001 CA ILE A 127 20.90148.158 28.112 1.00 41.92 6 C ATOM 1002 C ILE A 127 20.493 49.601 27.8591.00 43.99 6 C ATOM 1003 O ILE A 127 19.976 50.339 28.734 1.00 49.40 8 OATOM 1004 CB ILE A 127 19.638 47.414 28.627 1.00 41.42 6 C ATOM 1005 CG1ILE A 127 19.809 45.978 29.111 1.00 41.15 6 C ATOM 1006 CG2 ILE A 12718.572 47.516 27.553 1.00 41.55 6 C ATOM 1007 CD1 ILE A 127 18.53945.207 29.523 1.00 36.62 6 C ATOM 1008 N GLY A 128 20.670 50.173 26.6921.00 42.61 7 N ATOM 1009 CA GLY A 128 20.432 51.505 26.312 1.00 42.96 6C ATOM 1010 C GLY A 128 19.007 51.836 25.964 1.00 45.96 6 C ATOM 1011 OGLY A 128 18.312 51.119 25.259 1.00 47.97 8 O ATOM 1012 N GLU A 12918.412 52.919 26.419 1.00 48.53 7 N ATOM 1013 CA GLU A 129 17.015 53.19326.060 1.00 48.14 6 C ATOM 1014 C GLU A 129 17.194 53.954 24.763 1.0045.84 6 C ATOM 1015 O GLU A 129 18.060 54.808 24.716 1.00 43.60 8 O ATOM1016 CB GLU A 129 16.382 53.983 27.208 1.00 52.45 6 C ATOM 1017 CG GLU A129 14.854 54.026 27.025 1.00 55.35 6 C ATOM 1018 CD GLU A 129 14.16354.721 28.201 1.00 57.65 6 C ATOM 1019 OE1 GLU A 129 14.794 54.96529.270 1.00 58.86 8 O ATOM 1020 OE2 GLU A 129 12.957 55.006 27.988 1.0056.11 8 O ATOM 1021 N SER A 130 16.492 53.734 23.671 1.00 42.83 7 N ATOM1022 CA SER A 130 16.815 54.487 22.463 1.00 43.25 6 C ATOM 1023 C SER A130 15.652 54.490 21.508 1.00 42.94 6 C ATOM 1024 O SER A 130 14.62853.860 21.802 1.00 42.70 8 O ATOM 1025 CB SER A 130 17.985 53.797 21.7151.00 45.67 6 C ATOM 1026 OG SER A 130 17.563 52.538 21.135 1.00 47.55 8O ATOM 1027 N ALA A 131 15.852 55.037 20.287 1.00 44.08 7 N ATOM 1028 CAALA A 131 14.641 54.914 19.419 1.00 47.62 6 C ATOM 1029 C ALA A 13114.180 53.463 19.288 1.00 47.16 6 C ATOM 1030 O ALA A 131 13.027 53.08619.245 1.00 50.97 8 O ATOM 1031 CB ALA A 131 14.861 55.440 18.032 1.0047.05 6 C ATOM 1032 N ARG A 132 15.144 52.564 19.235 1.00 45.36 7 N ATOM1033 CA ARG A 132 14.941 51.163 19.035 1.00 43.62 6 C ATOM 1034 C ARG A132 14.637 50.375 20.285 1.00 41.28 6 C ATOM 1035 O ARG A 132 13.95649.405 20.031 1.00 40.20 8 O ATOM 1036 CB ARG A 132 16.217 50.764 18.2251.00 44.19 6 C ATOM 1037 CG ARG A 132 16.403 51.228 16.889 0.00 25.00 6C ATOM 1038 CD ARG A 132 15.327 50.920 15.863 0.00 25.00 6 C ATOM 1039NE ARG A 132 15.808 51.476 14.589 0.00 25.00 7 N ATOM 1040 CZ ARG A 13216.711 50.914 13.749 0.00 25.00 6 C ATOM 1041 NH1 ARG A 132 17.28749.728 14.010 0.00 25.00 7 N ATOM 1042 NH2 ARG A 132 17.017 51.59112.621 0.00 25.00 7 N ATOM 1043 N THR A 133 15.078 50.659 21.473 1.0040.43 7 N ATOM 1044 CA THR A 133 14.706 49.880 22.646 1.00 42.15 6 CATOM 1045 C THR A 133 13.948 50.717 23.711 1.00 42.45 6 C ATOM 1046 OTHR A 133 14.574 51.483 24.448 1.00 42.32 8 O ATOM 1047 CB THR A 13315.898 49.286 23.401 1.00 42.19 6 C ATOM 1048 OG1 THR A 133 16.46348.440 22.399 1.00 40.39 8 O ATOM 1049 CG2 THR A 133 15.370 48.52224.592 1.00 40.77 6 C ATOM 1050 N ASN A 134 12.628 50.508 23.713 1.0041.43 7 N ATOM 1051 CA ASN A 134 11.715 51.233 24.617 1.00 39.27 6 CATOM 1052 C ASN A 134 11.823 50.839 26.059 1.00 39.24 6 C ATOM 1053 OASN A 134 12.553 49.882 26.370 1.00 42.19 8 O ATOM 1054 CB ASN A 13410.287 51.135 24.022 1.00 35.65 6 C ATOM 1055 CG ASN A 134 9.629 49.80324.220 1.00 35.95 6 C ATOM 1056 OD1 ASN A 134 10.017 48.909 25.008 1.0036.84 8 O ATOM 1057 ND2 ASN A 134 8.550 49.649 23.451 1.00 33.02 7 NATOM 1058 N ALA A 135 11.166 51.508 26.988 1.00 39.69 7 N ATOM 1059 CAALA A 135 11.254 51.235 28.409 1.00 41.26 6 C ATOM 1060 C ALA A 13510.756 49.868 28.824 1.00 40.43 6 C ATOM 1061 O ALA A 135 11.320 49.13529.627 1.00 40.79 8 O ATOM 1062 CB ALA A 135 10.390 52.216 29.213 1.0039.72 6 C ATOM 1063 N GLU A 136 9.609 49.565 28.202 1.00 41.51 7 N ATOM1064 CA GLU A 136 8.921 48.307 28.507 1.00 41.00 6 C ATOM 1065 C GLU A136 9.807 47.137 28.151 1.00 43.34 6 C ATOM 1066 O GLU A 136 9.94746.116 28.855 1.00 44.33 8 O ATOM 1067 CB GLU A 136 7.573 48.280 27.8201.00 43.19 6 C ATOM 1068 CG GLU A 136 6.699 47.092 28.214 1.00 47.13 6 CATOM 1069 CD GLU A 136 6.831 46.530 29.595 1.00 48.67 6 C ATOM 1070 OE1GLU A 136 7.237 47.177 30.616 1.00 52.69 8 O ATOM 1071 OE2 GLU A 1366.493 45.316 29.652 1.00 50.52 8 O ATOM 1072 N GLY A 137 10.463 47.35127.001 1.00 42.58 7 N ATOM 1073 CA GLY A 137 11.427 46.384 26.515 1.0041.79 6 C ATOM 1074 C GLY A 137 12.591 46.256 27.462 1.00 41.10 6 C ATOM1075 O GLY A 137 12.886 45.077 27.805 1.00 43.59 8 O ATOM 1076 N ALA A138 13.241 47.325 27.888 1.00 38.62 7 N ATOM 1077 CA ALA A 138 14.34147.005 28.839 1.00 38.82 6 C ATOM 1078 C ALA A 138 13.761 46.407 30.1181.00 39.69 6 C ATOM 1079 O ALA A 138 14.382 45.497 30.686 1.00 40.77 8 OATOM 1080 CB ALA A 138 15.224 48.179 29.090 1.00 39.67 6 C ATOM 1081 NARG A 139 12.584 46.854 30.530 1.00 40.13 7 N ATOM 1082 CA ARG A 13912.017 46.327 31.765 1.00 42.98 6 C ATOM 1083 C ARG A 139 11.990 44.80131.693 1.00 41.82 6 C ATOM 1084 O ARG A 139 12.611 44.108 32.508 1.0044.18 8 O ATOM 1085 CB ARG A 139 10.607 46.917 32.036 1.00 46.03 6 CATOM 1086 CG ARG A 139 9.964 46.531 33.174 0.00 25.00 6 C ATOM 1087 CDARG A 139 8.476 46.846 33.125 0.00 25.00 6 C ATOM 1088 NE ARG A 1397.778 46.012 32.151 0.00 25.00 7 N ATOM 1089 CZ ARG A 139 7.522 44.72632.342 0.00 25.00 6 C ATOM 1090 NH1 ARG A 139 7.904 44.146 33.471 0.0025.00 7 N ATOM 1091 NH2 ARG A 139 6.891 44.022 31.414 0.00 25.00 7 NATOM 1092 N GLN A 140 11.282 44.277 30.726 1.00 39.96 7 N ATOM 1093 CAGLN A 140 11.117 42.869 30.448 1.00 39.67 6 C ATOM 1094 C GLN A 14012.462 42.180 30.341 1.00 41.42 6 C ATOM 1095 O GLN A 140 12.716 41.10330.948 1.00 45.50 8 O ATOM 1096 CB GLN A 140 10.346 42.761 29.167 1.0037.83 6 C ATOM 1097 CG GLN A 140 8.827 42.602 29.143 1.00 36.27 6 C ATOM1098 CD GLN A 140 8.311 42.390 27.706 1.00 40.74 6 C ATOM 1099 OE1 GLN A140 8.679 41.352 27.056 1.00 42.86 8 O ATOM 1100 NE2 GLN A 140 7.47743.262 27.087 1.00 36.53 7 N ATOM 1101 N MET A 141 13.390 42.817 29.6151.00 41.08 7 N ATOM 1102 CA MET A 141 14.715 42.234 29.468 1.00 39.01 6C ATOM 1103 C MET A 141 15.329 42.133 30.836 1.00 37.86 6 C ATOM 1104 OMET A 141 15.689 40.979 31.086 1.00 39.52 8 O ATOM 1105 CB MET A 14115.665 42.985 28.523 1.00 41.84 6 C ATOM 1106 CG MET A 141 17.049 42.30028.317 1.00 41.33 6 C ATOM 1107 SD MET A 141 16.917 40.673 27.510 1.0043.02 16 S ATOM 1108 CE MET A 141 16.580 40.996 25.803 1.00 39.58 6 CATOM 1109 N ILE A 142 15.439 43.186 31.669 1.00 36.75 7 N ATOM 1110 CAILE A 142 16.038 42.969 32.994 1.00 38.20 6 C ATOM 1111 C ILE A 14215.372 41.826 33.797 1.00 37.42 6 C ATOM 1112 O ILE A 142 15.985 41.05634.527 1.00 36.17 8 O ATOM 1113 CB ILE A 142 15.911 44.334 33.709 1.0040.47 6 C ATOM 1114 CG1 ILE A 142 16.728 45.345 32.910 1.00 40.83 6 CATOM 1115 CG2 ILE A 142 16.293 44.230 35.163 1.00 41.86 6 C ATOM 1116CD1 ILE A 142 16.753 46.768 33.350 1.00 40.25 6 C ATOM 1117 N ALA A 14314.062 41.655 33.617 1.00 36.53 7 N ATOM 1118 CA ALA A 143 13.292 40.64834.301 1.00 39.03 6 C ATOM 1119 C ALA A 143 13.765 39.255 33.886 1.0044.10 6 C ATOM 1120 O ALA A 143 13.974 38.366 34.749 1.00 44.96 8 O ATOM1121 CB ALA A 143 11.815 40.822 34.008 1.00 35.82 6 C ATOM 1122 N ILE A144 13.917 39.114 32.516 1.00 44.81 7 N ATOM 1123 CA ILE A 144 14.40737.802 32.055 1.00 42.08 6 C ATOM 1124 C ILE A 144 15.812 37.547 32.5371.00 43.57 6 C ATOM 1125 O ILE A 144 15.977 36.393 32.984 1.00 46.89 8 OATOM 1126 CB ILE A 144 14.393 37.682 30.561 1.00 41.61 6 C ATOM 1127 CG1ILE A 144 12.920 37.640 30.112 1.00 40.08 6 C ATOM 1128 CG2 ILE A 14415.139 36.461 30.047 1.00 42.14 6 C ATOM 1129 CD1 ILE A 144 12.61138.327 28.800 1.00 37.77 6 C ATOM 1130 N LEU A 145 16.695 38.534 32.5201.00 42.59 7 N ATOM 1131 CA LEU A 145 18.025 38.216 33.032 1.00 43.71 6C ATOM 1132 C LEU A 145 17.957 37.823 34.502 1.00 48.43 6 C ATOM 1133 OLEU A 145 18.828 36.987 34.824 1.00 49.21 8 O ATOM 1134 CB LEU A 14518.927 39.433 32.790 1.00 39.36 6 C ATOM 1135 CG LEU A 145 19.169 39.70331.311 1.00 38.73 6 C ATOM 1136 CD1 LEU A 145 19.773 41.064 31.029 1.0039.04 6 C ATOM 1137 CD2 LEU A 145 20.041 38.584 30.726 1.00 35.22 6 CATOM 1138 N GLU A 146 16.999 38.458 35.236 1.00 50.61 7 N ATOM 1139 CAGLU A 146 16.856 38.201 36.662 1.00 53.29 6 C ATOM 1140 C GLU A 14616.438 36.762 36.933 1.00 50.86 6 C ATOM 1141 O GLU A 146 17.061 36.03537.724 1.00 49.36 8 O ATOM 1142 CB GLU A 146 15.907 39.231 37.353 1.0053.73 6 C ATOM 1143 CG GLU A 146 16.777 40.233 38.120 1.00 57.30 6 CATOM 1144 CD GLU A 146 16.200 41.622 38.128 1.00 58.80 6 C ATOM 1145 OE1GLU A 146 14.964 41.606 37.938 1.00 61.75 8 O ATOM 1146 OE2 GLU A 14616.872 42.652 38.298 1.00 57.60 8 O ATOM 1147 N LYS A 147 15.408 36.42536.149 1.00 49.22 7 N ATOM 1148 CA LYS A 147 14.886 35.051 36.300 1.0050.37 6 C ATOM 1149 C LYS A 147 15.993 34.027 36.128 1.00 53.27 6 C ATOM1150 O LYS A 147 16.044 32.960 36.738 1.00 56.64 8 O ATOM 1151 CB LYS A147 13.733 34.847 35.332 1.00 49.38 6 C ATOM 1152 CG LYS A 147 13.28633.440 35.003 1.00 48.97 6 C ATOM 1153 CD LYS A 147 12.369 33.550 33.7671.00 51.71 6 C ATOM 1154 CE LYS A 147 12.017 32.131 33.251 1.00 54.44 6C ATOM 1155 NZ LYS A 147 11.005 32.155 32.118 1.00 57.75 7 N ATOM 1156 NHIS A 148 16.999 34.240 35.278 1.00 52.72 7 N ATOM 1157 CA HIS A 14818.130 33.419 35.026 1.00 49.93 6 C ATOM 1158 C HIS A 148 19.333 33.77135.877 1.00 48.22 6 C ATOM 1159 O HIS A 148 20.444 33.326 35.458 1.0048.43 8 O ATOM 1160 CB HIS A 148 18.532 33.502 33.500 1.00 50.21 6 CATOM 1161 CG HIS A 148 17.358 32.945 32.752 1.00 47.86 6 C ATOM 1162 ND1HIS A 148 17.163 31.576 32.798 1.00 48.79 7 N ATOM 1163 CD2 HIS A 14816.360 33.424 31.996 1.00 48.49 6 C ATOM 1164 CE1 HIS A 148 16.06131.303 32.067 1.00 48.15 6 C ATOM 1165 NE2 HIS A 148 15.534 32.39531.558 1.00 46.04 7 N ATOM 1166 N GLY A 149 19.107 34.535 36.914 1.0045.21 7 N ATOM 1167 CA GLY A 149 20.302 34.812 37.736 1.00 46.95 6 CATOM 1168 C GLY A 149 21.329 35.711 37.147 1.00 48.16 6 C ATOM 1169 OGLY A 149 22.481 35.631 37.653 1.00 51.80 8 O ATOM 1170 N LEU A 15021.020 36.531 36.141 1.00 47.23 7 N ATOM 1171 CA LEU A 150 22.029 37.47735.616 1.00 47.94 6 C ATOM 1172 C LEU A 150 21.525 38.879 35.963 1.0048.06 6 C ATOM 1173 O LEU A 150 20.380 38.853 36.469 1.00 50.18 8 O ATOM1174 CB LEU A 150 22.192 37.298 34.118 1.00 48.24 6 C ATOM 1175 CG LEU A150 22.793 35.941 33.735 1.00 49.96 6 C ATOM 1176 CD1 LEU A 150 22.53935.635 32.269 1.00 50.41 6 C ATOM 1177 CD2 LEU A 150 24.270 35.81134.042 1.00 49.49 6 C ATOM 1178 N SER A 151 22.137 39.996 35.754 1.0047.20 7 N ATOM 1179 CA SER A 151 21.581 41.304 36.146 1.00 47.89 6 CATOM 1180 C SER A 151 21.460 42.237 34.947 1.00 49.68 6 C ATOM 1181 OSER A 151 22.050 42.012 33.854 1.00 53.62 8 O ATOM 1182 CB SER A 15122.633 41.954 37.084 1.00 47.40 6 C ATOM 1183 OG SER A 151 23.870 41.74736.321 1.00 52.12 8 O ATOM 1184 N GLY A 152 20.825 43.380 35.011 1.0049.88 7 N ATOM 1185 CA GLY A 152 20.734 44.294 33.885 1.00 50.61 6 CATOM 1186 C GLY A 152 20.321 45.692 34.346 1.00 50.20 6 C ATOM 1187 OGLY A 152 19.671 45.777 35.367 1.00 52.00 8 O ATOM 1188 N SER A 15320.813 46.703 33.658 1.00 50.84 7 N ATOM 1189 CA SER A 153 20.532 48.08934.035 1.00 49.59 6 C ATOM 1190 C SER A 153 20.338 48.937 32.794 1.0050.33 6 C ATOM 1191 O SER A 153 20.696 48.553 31.665 1.00 52.58 8 O ATOM1192 CB SER A 153 21.643 48.644 34.902 1.00 48.22 6 C ATOM 1193 OG SER A153 22.845 48.444 34.240 1.00 47.32 8 O ATOM 1194 N VAL A 154 19.69150.069 32.919 1.00 47.74 7 N ATOM 1195 CA VAL A 154 19.385 50.926 31.8221.00 47.15 6 C ATOM 1196 C VAL A 154 20.346 52.072 31.665 1.00 47.76 6 CATOM 1197 O VAL A 154 20.532 52.748 32.632 1.00 54.69 8 O ATOM 1198 CBVAL A 154 17.967 51.461 31.935 1.00 47.44 6 C ATOM 1199 CG1 VAL A 15417.665 52.372 30.760 1.00 46.31 6 C ATOM 1200 CG2 VAL A 154 17.06250.246 32.028 1.00 45.82 6 C ATOM 1201 N VAL A 155 20.969 52.239 30.5251.00 46.98 7 N ATOM 1202 CA VAL A 155 21.922 53.288 30.273 1.00 47.82 6C ATOM 1203 C VAL A 155 21.227 54.217 29.266 1.00 52.32 6 C ATOM 1204 OVAL A 155 20.508 53.902 28.336 1.00 51.26 8 O ATOM 1205 CB VAL A 15523.292 52.892 29.714 1.00 45.92 6 C ATOM 1206 CG1 VAL A 155 24.02854.178 29.246 1.00 41.05 6 C ATOM 1207 CG2 VAL A 155 24.049 52.06630.746 1.00 44.34 6 C ATOM 1208 N ARG A 156 21.384 55.481 29.512 1.0056.85 7 N ATOM 1209 CA ARG A 156 20.944 56.694 28.884 1.00 61.13 6 CATOM 1210 C ARG A 156 21.259 57.139 27.463 1.00 60.65 6 C ATOM 1211 OARG A 156 22.245 56.704 26.916 1.00 68.50 8 O ATOM 1212 CB ARG A 15621.622 57.746 29.831 1.00 63.95 6 C ATOM 1213 CG ARG A 156 21.687 57.21431.290 1.00 64.88 6 C ATOM 1214 CD ARG A 156 22.915 57.687 32.009 0.0025.00 6 C ATOM 1215 NE ARG A 156 22.810 57.432 33.454 0.00 25.00 7 NATOM 1216 CZ ARG A 156 23.586 57.983 34.385 0.00 25.00 6 C ATOM 1217 NH1ARG A 156 24.553 58.818 34.034 0.00 25.00 7 N ATOM 1218 NH2 ARG A 15623.390 57.700 35.668 0.00 25.00 7 N ATOM 1219 N LEU A 157 20.722 57.53226.660 0.00 25.00 7 N ATOM 1220 CA LEU A 157 21.081 57.650 25.255 0.0025.00 6 C ATOM 1221 C LEU A 157 20.428 58.798 24.523 0.00 25.00 6 C ATOM1222 O LEU A 157 19.216 58.985 24.607 0.00 25.00 8 O ATOM 1223 CB LEU A157 20.789 56.356 24.500 0.00 25.00 6 C ATOM 1224 CG LEU A 157 22.01155.579 24.005 0.00 25.00 6 C ATOM 1225 CD1 LEU A 157 21.588 54.42223.115 0.00 25.00 6 C ATOM 1226 CD2 LEU A 157 22.976 56.497 23.267 0.0025.00 6 C ATOM 1227 N GLU A 158 21.220 59.559 23.756 0.00 25.00 7 N ATOM1228 CA GLU A 158 20.640 60.691 23.068 0.00 25.00 6 C ATOM 1229 C GLU A158 21.137 60.957 21.650 0.00 25.00 6 C ATOM 1230 O GLU A 158 20.30861.357 20.793 0.00 25.00 8 O ATOM 1231 CB GLU A 158 20.771 61.968 23.9220.00 25.00 6 C ATOM 1232 CG GLU A 158 19.589 62.199 24.887 0.00 25.00 6C ATOM 1233 CD GLU A 158 19.602 63.581 25.530 0.00 25.00 6 C ATOM 1234OE1 GLU A 158 20.430 64.417 25.112 0.00 25.00 8 O ATOM 1235 OE2 GLU A158 18.790 63.832 26.450 0.00 25.00 8 O ATOM 1236 N LYS A 159 22.46260.772 21.433 0.00 25.00 7 N ATOM 1237 CA LYS A 159 22.991 61.144 20.1260.00 25.00 6 C ATOM 1238 C LYS A 159 23.362 59.910 19.311 0.00 25.00 6 CATOM 1239 O LYS A 159 23.767 60.106 18.108 0.00 25.00 8 O ATOM 1240 CBLYS A 159 24.208 62.058 20.280 0.00 25.00 6 C ATOM 1241 CG LYS A 15923.887 63.425 20.863 0.00 25.00 6 C ATOM 1242 CD LYS A 159 25.139 64.27920.988 0.00 25.00 6 C ATOM 1243 CE LYS A 159 24.818 65.645 21.571 0.0025.00 6 C ATOM 1244 NZ LYS A 159 26.036 66.494 21.699 0.00 25.00 7 NATOM 1245 N VAL A 160 23.237 58.708 19.844 0.00 25.00 7 N ATOM 1246 CAVAL A 160 23.567 57.564 18.991 0.00 25.00 6 C ATOM 1247 C VAL A 16022.378 56.607 18.980 0.00 25.00 6 C ATOM 1248 O VAL A 160 21.535 56.49519.896 0.00 25.00 8 O ATOM 1249 CB VAL A 160 24.887 56.880 19.362 0.0025.00 6 C ATOM 1250 CG1 VAL A 160 25.955 57.388 18.365 0.00 25.00 6 CATOM 1251 CG2 VAL A 160 25.306 57.085 20.828 0.00 25.00 6 C ATOM 1252 NLEU A 161 22.370 55.868 17.863 0.00 25.00 7 N ATOM 1253 CA LEU A 16121.290 54.930 17.580 0.00 25.00 6 C ATOM 1254 C LEU A 161 21.295 53.76918.569 0.00 25.00 6 C ATOM 1255 O LEU A 161 20.224 53.278 19.002 0.0025.00 8 O ATOM 1256 CB LEU A 161 21.398 54.402 16.148 0.00 25.00 6 CATOM 1257 CG LEU A 161 21.211 55.431 15.031 0.00 25.00 6 C ATOM 1258 CD1LEU A 161 21.488 54.805 13.673 0.00 25.00 6 C ATOM 1259 CD2 LEU A 16119.787 55.964 15.026 0.00 25.00 6 C ATOM 1260 N HIS A 162 22.353 53.23818.779 1.00 54.50 7 N ATOM 1261 CA HIS A 162 22.513 52.125 19.666 1.0054.83 6 C ATOM 1262 C HIS A 162 23.579 52.423 20.720 1.00 54.76 6 C ATOM1263 O HIS A 162 24.469 53.214 20.505 1.00 56.54 8 O ATOM 1264 CB HIS A162 22.964 50.820 19.007 1.00 58.46 6 C ATOM 1265 CG HIS A 162 21.96850.106 18.143 1.00 57.90 6 C ATOM 1266 ND1 HIS A 162 22.302 49.38617.034 1.00 57.48 7 N ATOM 1267 CD2 HIS A 162 20.623 50.002 18.227 1.0057.16 6 C ATOM 1268 CE1 HIS A 162 21.196 48.880 16.489 1.00 57.03 6 CATOM 1269 NE2 HIS A 162 20.151 49.238 17.196 1.00 55.43 7 N ATOM 1270 NLEU A 163 23.422 51.692 21.826 1.00 53.46 7 N ATOM 1271 CA LEU A 16324.376 51.832 22.898 1.00 49.16 6 C ATOM 1272 C LEU A 163 25.753 51.55722.314 1.00 46.30 6 C ATOM 1273 O LEU A 163 26.580 52.390 22.573 1.0044.20 8 O ATOM 1274 CB LEU A 163 24.073 50.869 24.038 1.00 48.44 6 CATOM 1275 CG LEU A 163 25.226 50.956 25.082 1.00 50.03 6 C ATOM 1276 CD1LEU A 163 25.074 52.245 25.916 1.00 46.01 6 C ATOM 1277 CD2 LEU A 16325.163 49.607 25.721 1.00 48.34 6 C ATOM 1278 N LYS A 164 25.871 50.46121.546 1.00 46.62 7 N ATOM 1279 CA LYS A 164 27.137 50.018 20.977 1.0045.20 6 C ATOM 1280 C LYS A 164 27.788 50.691 19.818 1.00 47.71 6 C ATOM1281 O LYS A 164 28.902 50.360 19.419 1.00 50.28 8 O ATOM 1282 CB LYS A164 27.088 48.498 20.720 1.00 38.46 6 C ATOM 1283 CG LYS A 164 27.21547.919 22.149 1.00 36.80 6 C ATOM 1284 CD LYS A 164 27.653 46.479 22.2201.00 33.88 6 C ATOM 1285 CE LYS A 164 26.817 45.500 21.426 1.00 32.23 6C ATOM 1286 NZ LYS A 164 27.006 44.094 21.787 1.00 31.58 7 N ATOM 1287 NTHR A 165 27.192 51.714 19.236 1.00 49.65 7 N ATOM 1288 CA THR A 16527.765 52.538 18.197 1.00 48.05 6 C ATOM 1289 C THR A 165 28.808 53.35818.972 1.00 46.84 6 C ATOM 1290 O THR A 165 29.770 53.816 18.377 1.0047.71 8 O ATOM 1291 CB THR A 165 26.764 53.577 17.660 1.00 50.31 6 CATOM 1292 OG1 THR A 165 25.530 52.992 17.213 1.00 52.28 8 O ATOM 1293CG2 THR A 165 27.337 54.375 16.492 1.00 48.02 6 C ATOM 1294 N GLY A 16628.663 53.538 20.290 1.00 45.73 7 N ATOM 1295 CA GLY A 166 29.672 54.31221.026 1.00 46.87 6 C ATOM 1296 C GLY A 166 30.574 53.564 21.957 1.0048.61 6 C ATOM 1297 O GLY A 166 31.562 54.116 22.511 1.00 50.78 8 O ATOM1298 N LEU A 167 30.351 52.248 22.197 1.00 51.05 7 N ATOM 1299 CA LEU A167 31.282 51.570 23.141 1.00 49.56 6 C ATOM 1300 C LEU A 167 31.55450.124 22.804 1.00 47.50 6 C ATOM 1301 O LEU A 167 30.836 49.457 22.0791.00 46.08 8 O ATOM 1302 CB LEU A 167 30.636 51.564 24.493 1.00 53.91 6C ATOM 1303 CG LEU A 167 29.953 52.557 25.396 1.00 55.64 6 C ATOM 1304CD1 LEU A 167 28.604 51.998 25.864 1.00 54.35 6 C ATOM 1305 CD2 LEU A167 30.824 52.831 26.621 1.00 56.89 6 C ATOM 1306 N ALA A 168 32.53649.501 23.435 1.00 47.59 7 N ATOM 1307 CA ALA A 168 32.939 48.130 23.3001.00 44.76 6 C ATOM 1308 C ALA A 168 33.752 47.696 24.530 1.00 45.81 6 CATOM 1309 O ALA A 168 34.700 48.368 24.912 1.00 42.97 8 O ATOM 1310 CBALA A 168 33.861 47.948 22.113 1.00 47.12 6 C ATOM 1311 N TYR A 16933.272 46.564 25.078 1.00 45.72 7 N ATOM 1312 CA TYR A 169 33.941 46.03626.259 1.00 44.36 6 C ATOM 1313 C TYR A 169 34.883 45.068 25.613 1.0045.49 6 C ATOM 1314 O TYR A 169 34.396 44.238 24.809 1.00 44.42 8 O ATOM1315 CB TYR A 169 32.986 45.296 27.165 1.00 46.80 6 C ATOM 1316 CG TYR A169 33.663 44.838 28.440 1.00 49.26 6 C ATOM 1317 CD1 TYR A 169 34.38645.721 29.257 1.00 46.45 6 C ATOM 1318 CD2 TYR A 169 33.538 43.48428.788 1.00 48.79 6 C ATOM 1319 CE1 TYR A 169 34.969 45.209 30.399 1.0046.50 6 C ATOM 1320 CE2 TYR A 169 34.138 43.031 29.937 1.00 47.91 6 CATOM 1321 CZ TYR A 169 34.855 43.904 30.742 1.00 46.29 6 C ATOM 1322 OHTYR A 169 35.403 43.336 31.853 1.00 49.09 8 O ATOM 1323 N LEU A 17036.176 45.221 25.895 1.00 44.47 7 N ATOM 1324 CA LEU A 170 37.146 44.28525.295 1.00 40.33 6 C ATOM 1325 C LEU A 170 37.560 43.340 26.387 1.0043.47 6 C ATOM 1326 O LEU A 170 38.598 42.666 26.219 1.00 44.67 8 O ATOM1327 CB LEU A 170 38.328 44.992 24.665 1.00 36.40 6 C ATOM 1328 CG LEU A170 37.854 46.035 23.632 1.00 35.76 6 C ATOM 1329 CD1 LEU A 170 38.99346.919 23.111 1.00 29.27 6 C ATOM 1330 CD2 LEU A 170 36.975 45.39822.536 1.00 31.40 6 C ATOM 1331 N GLU A 171 36.718 43.238 27.464 1.0044.40 7 N ATOM 1332 CA GLU A 171 37.077 42.315 28.543 1.00 45.41 6 CATOM 1333 C GLU A 171 38.249 42.901 29.307 1.00 47.70 6 C ATOM 1334 OGLU A 171 38.954 43.817 28.876 1.00 46.80 8 O ATOM 1335 CB GLU A 17137.428 40.921 28.015 1.00 44.46 6 C ATOM 1336 CG GLU A 171 36.245 40.24527.368 1.00 42.80 6 C ATOM 1337 CD GLU A 171 35.068 39.947 28.227 1.0044.45 6 C ATOM 1338 OE1 GLU A 171 35.133 39.476 29.402 1.00 46.66 8 OATOM 1339 OE2 GLU A 171 33.927 40.181 27.753 1.00 44.84 8 O ATOM 1340 NHIS A 172 38.522 42.364 30.489 1.00 52.55 7 N ATOM 1341 CA HIS A 17239.634 42.838 31.334 1.00 55.97 6 C ATOM 1342 C HIS A 172 39.420 44.26031.785 1.00 57.54 6 C ATOM 1343 O HIS A 172 40.352 45.085 31.868 1.0060.45 8 O ATOM 1344 CB HIS A 172 40.987 42.692 30.610 1.00 56.43 6 CATOM 1345 CG HIS A 172 41.196 41.309 30.076 1.00 56.53 6 C ATOM 1346 ND1HIS A 172 41.210 40.173 30.862 1.00 57.32 7 N ATOM 1347 CD2 HIS A 17241.400 40.876 28.820 1.00 57.05 6 C ATOM 1348 CE1 HIS A 172 41.41339.094 30.120 1.00 56.50 6 C ATOM 1349 NE2 HIS A 172 41.531 39.50028.879 1.00 56.76 7 N ATOM 1350 N ASN A 173 38.174 44.660 32.030 1.0058.11 7 N ATOM 1351 CA ASN A 173 37.768 45.982 32.468 1.00 59.93 6 CATOM 1352 C ASN A 173 38.110 47.075 31.460 1.00 61.32 6 C ATOM 1353 OASN A 173 37.851 48.246 31.704 1.00 61.15 8 O ATOM 1354 CB ASN A 17338.286 46.342 33.869 1.00 60.29 6 C ATOM 1355 CG ASN A 173 37.266 47.12734.672 1.00 61.91 6 C ATOM 1356 OD1 ASN A 173 36.784 48.190 34.274 1.0061.34 8 O ATOM 1357 ND2 ASN A 173 36.853 46.672 35.862 1.00 63.56 7 NATOM 1358 N ASN A 174 38.633 46.698 30.307 1.00 62.83 7 N ATOM 1359 CAASN A 174 39.016 47.556 29.202 1.00 64.03 6 C ATOM 1360 C ASN A 17437.723 47.928 28.506 1.00 63.34 6 C ATOM 1361 O ASN A 174 36.888 47.03728.377 1.00 62.55 8 O ATOM 1362 CB ASN A 174 40.069 46.897 28.332 1.0065.98 6 C ATOM 1363 CG ASN A 174 41.289 46.616 29.210 1.00 67.54 6 CATOM 1364 OD1 ASN A 174 41.703 47.558 29.889 1.00 68.63 8 O ATOM 1365ND2 ASN A 174 41.774 45.384 29.154 1.00 67.94 7 N ATOM 1366 N LEU A 17537.520 49.211 28.172 1.00 62.18 7 N ATOM 1367 CA LEU A 175 36.237 49.58127.585 1.00 58.30 6 C ATOM 1368 C LEU A 175 36.402 50.746 26.652 1.0057.12 6 C ATOM 1369 O LEU A 175 36.697 51.828 27.164 1.00 60.67 8 O ATOM1370 CB LEU A 175 35.272 49.989 28.707 1.00 58.46 6 C ATOM 1371 CG LEU A175 34.102 50.816 28.143 1.00 61.08 6 C ATOM 1372 CD1 LEU A 175 32.89249.932 27.898 1.00 60.97 6 C ATOM 1373 CD2 LEU A 175 33.761 52.03328.982 1.00 61.42 6 C ATOM 1374 N LEU A 176 36.210 50.590 25.371 1.0054.51 7 N ATOM 1375 CA LEU A 176 36.356 51.633 24.377 1.00 53.17 6 CATOM 1376 C LEU A 176 35.152 52.537 24.511 1.00 53.04 6 C ATOM 1377 OLEU A 176 34.048 52.001 24.660 1.00 53.75 8 O ATOM 1378 CB LEU A 17636.377 51.025 22.976 1.00 54.78 6 C ATOM 1379 CG LEU A 176 37.507 50.10922.516 1.00 54.22 6 C ATOM 1380 CD1 LEU A 176 37.588 49.932 21.022 1.0054.60 6 C ATOM 1381 CD2 LEU A 176 38.852 50.679 22.982 1.00 55.24 6 CATOM 1382 N ALA A 177 35.283 53.855 24.508 1.00 53.05 7 N ATOM 1383 CAALA A 177 34.128 54.727 24.634 1.00 51.53 6 C ATOM 1384 C ALA A 17734.335 55.984 23.815 1.00 53.07 6 C ATOM 1385 O ALA A 177 35.478 56.43223.825 1.00 54.77 8 O ATOM 1386 CB ALA A 177 33.904 55.111 26.072 1.0050.70 6 C ATOM 1387 N ALA A 178 33.342 56.493 23.152 1.00 53.99 7 N ATOM1388 CA ALA A 178 33.392 57.704 22.369 1.00 58.12 6 C ATOM 1389 C ALA A178 32.149 58.594 22.549 1.00 60.06 6 C ATOM 1390 O ALA A 178 31.07258.012 22.654 1.00 59.09 8 O ATOM 1391 CB ALA A 178 33.414 57.357 20.8711.00 57.76 6 C ATOM 1392 N GLY A 179 32.260 59.929 22.544 1.00 62.70 7 NATOM 1393 CA GLY A 179 31.069 60.787 22.682 1.00 64.96 6 C ATOM 1394 CGLY A 179 30.518 60.833 24.110 1.00 66.28 6 C ATOM 1395 O GLY A 17931.310 60.854 25.087 1.00 69.76 8 O ATOM 1396 N GLU A 180 29.193 60.82224.255 1.00 64.13 7 N ATOM 1397 CA GLU A 180 28.615 60.791 25.604 1.0064.06 6 C ATOM 1398 C GLU A 180 29.344 59.867 26.563 1.00 62.92 6 C ATOM1399 O GLU A 180 30.059 60.268 27.498 1.00 67.41 8 O ATOM 1400 CB GLU A180 27.195 60.212 25.589 1.00 64.95 6 C ATOM 1401 CG GLU A 180 26.56460.315 24.220 1.00 67.71 6 C ATOM 1402 CD GLU A 180 25.082 60.008 24.2041.00 68.99 6 C ATOM 1403 OE1 GLU A 180 24.441 59.866 25.258 1.00 69.92 8O ATOM 1404 OE2 GLU A 180 24.521 59.907 23.089 1.00 70.61 8 O ATOM 1405N PHE A 181 29.281 58.560 26.388 1.00 58.81 7 N ATOM 1406 CA PHE A 18129.869 57.540 27.213 1.00 55.50 6 C ATOM 1407 C PHE A 181 31.222 57.75927.831 1.00 57.61 6 C ATOM 1408 O PHE A 181 31.576 57.020 28.792 1.0054.58 8 O ATOM 1409 CB PHE A 181 29.971 56.179 26.422 1.00 52.18 6 CATOM 1410 CG PHE A 181 28.647 56.017 25.713 1.00 49.11 6 C ATOM 1411 CD1PHE A 181 28.608 56.132 24.338 1.00 49.74 6 C ATOM 1412 CD2 PHE A 18127.477 55.785 26.411 1.00 46.45 6 C ATOM 1413 CE1 PHE A 181 27.42056.011 23.640 1.00 49.15 6 C ATOM 1414 CE2 PHE A 181 26.296 55.66525.757 1.00 47.30 6 C ATOM 1415 CZ PHE A 181 26.254 55.775 24.369 1.0050.04 6 C ATOM 1416 N VAL A 182 32.031 58.679 27.277 1.00 60.15 7 N ATOM1417 CA VAL A 182 33.344 58.803 27.918 1.00 64.92 6 C ATOM 1418 C VAL A182 33.220 59.220 29.380 1.00 68.82 6 C ATOM 1419 O VAL A 182 33.92858.661 30.247 1.00 69.89 8 O ATOM 1420 CB VAL A 182 34.151 59.825 27.1291.00 66.58 6 C ATOM 1421 CG1 VAL A 182 35.273 60.401 27.982 1.00 67.11 6C ATOM 1422 CG2 VAL A 182 34.637 59.167 25.837 1.00 67.47 6 C ATOM 1423N SER A 183 32.332 60.191 29.667 1.00 70.60 7 N ATOM 1424 CA SER A 18332.246 60.647 31.052 1.00 73.23 6 C ATOM 1425 C SER A 183 31.083 60.10731.827 1.00 74.75 6 C ATOM 1426 O SER A 183 30.932 60.434 33.015 1.0075.57 8 O ATOM 1427 CB SER A 183 32.292 62.181 31.043 1.00 74.20 6 CATOM 1428 OG SER A 183 33.602 62.472 30.535 1.00 75.37 8 O ATOM 1429 NLYS A 184 30.305 59.232 31.179 1.00 75.60 7 N ATOM 1430 CA LYS A 18429.176 58.630 31.925 1.00 74.23 6 C ATOM 1431 C LYS A 184 29.766 58.05633.201 1.00 73.12 6 C ATOM 1432 O LYS A 184 30.791 57.401 33.170 1.0073.55 8 O ATOM 1433 CB LYS A 184 28.475 57.577 31.091 1.00 74.63 6 CATOM 1434 CG LYS A 184 27.593 58.028 30.077 0.00 25.00 6 C ATOM 1435 CDLYS A 184 26.199 58.112 30.678 0.00 25.00 6 C ATOM 1436 CE LYS A 18425.132 57.826 29.633 0.00 25.00 6 C ATOM 1437 NZ LYS A 184 25.203 58.77928.491 0.00 25.00 7 N ATOM 1438 N PRO A 185 29.128 58.333 34.312 1.0073.30 7 N ATOM 1439 CA PRO A 185 29.595 57.887 35.615 1.00 73.90 6 CATOM 1440 C PRO A 185 29.635 56.391 35.719 1.00 73.86 6 C ATOM 1441 OPRO A 185 30.649 55.816 36.113 1.00 76.59 8 O ATOM 1442 CB PRO A 18528.605 58.492 36.609 1.00 74.32 6 C ATOM 1443 CG PRO A 185 27.924 59.59035.874 1.00 73.83 6 C ATOM 1444 CD PRO A 185 27.890 59.136 34.425 1.0073.36 6 C ATOM 1445 N GLU A 186 28.564 55.719 35.332 1.00 73.22 7 N ATOM1446 CA GLU A 186 28.415 54.265 35.375 1.00 71.25 6 C ATOM 1447 C GLU A186 29.562 53.429 34.828 1.00 69.14 6 C ATOM 1448 O GLU A 186 29.71852.251 35.245 1.00 69.17 8 O ATOM 1449 CB GLU A 186 27.098 53.872 34.6831.00 70.86 6 C ATOM 1450 CG GLU A 186 26.856 54.778 33.500 1.00 72.47 6C ATOM 1451 CD GLU A 186 25.447 55.295 33.340 1.00 73.12 6 C ATOM 1452OE1 GLU A 186 24.468 54.508 33.305 1.00 74.84 8 O ATOM 1453 OE2 GLU A186 25.305 56.533 33.245 1.00 73.47 8 O ATOM 1454 N PHE A 187 30.37054.005 33.932 1.00 65.17 7 N ATOM 1455 CA PHE A 187 31.511 53.309 33.3831.00 63.13 6 C ATOM 1456 C PHE A 187 32.821 53.877 33.915 1.00 64.91 6 CATOM 1457 O PHE A 187 33.861 53.672 33.256 1.00 63.37 8 O ATOM 1458 CBPHE A 187 31.558 53.405 31.825 1.00 59.18 6 C ATOM 1459 CG PHE A 18730.268 53.016 31.153 1.00 53.53 6 C ATOM 1460 CD1 PHE A 187 29.74553.775 30.131 1.00 51.23 6 C ATOM 1461 CD2 PHE A 187 29.584 51.87931.562 1.00 50.29 6 C ATOM 1462 CE1 PHE A 187 28.555 53.367 29.556 1.0048.73 6 C ATOM 1463 CE2 PHE A 187 28.410 51.487 30.992 1.00 47.88 6 CATOM 1464 CZ PHE A 187 27.880 52.258 29.952 1.00 45.94 6 C ATOM 1465 NGLN A 188 32.864 54.566 35.062 1.00 67.08 7 N ATOM 1466 CA GLN A 18834.199 55.113 35.422 1.00 68.70 6 C ATOM 1467 C GLN A 188 35.138 54.22036.161 1.00 69.43 6 C ATOM 1468 O GLN A 188 36.372 54.443 36.103 1.0072.41 8 O ATOM 1469 CB GLN A 188 33.889 56.511 35.946 1.00 69.86 6 CATOM 1470 CG GLN A 188 33.063 57.343 34.973 1.00 70.31 6 C ATOM 2471 CDGLN A 188 33.799 57.836 33.751 1.00 71.72 6 C ATOM 1472 OE1 GLN A 18834.950 58.281 33.887 1.00 71.14 8 O ATOM 1473 NE2 GLN A 188 33.18457.775 32.550 1.00 71.35 7 N ATOM 1474 N ASP A 189 34.758 53.090 36.7411.00 70.30 7 N ATOM 1475 CA ASP A 189 35.723 52.176 37.362 1.00 70.94 6C ATOM 1476 C ASP A 189 36.305 51.258 36.278 1.00 71.04 6 C ATOM 1477 OASP A 189 36.893 50.217 36.583 1.00 71.25 8 O ATOM 1478 CB ASP A 18935.124 51.340 38.490 1.00 71.81 6 C ATOM 1479 CG ASP A 189 34.775 52.26039.641 0.00 25.00 6 C ATOM 1480 OD1 ASP A 189 35.077 53.481 39.660 0.0025.00 8 O ATOM 1481 OD2 ASP A 189 34.123 51.669 40.538 0.00 25.00 8 OATOM 1482 N PHE A 190 36.106 51.608 35.003 1.00 70.18 7 N ATOM 1483 CAPHE A 190 36.587 50.964 33.830 1.00 68.32 6 C ATOM 1484 C PHE A 19037.818 51.738 33.342 1.00 67.53 6 C ATOM 1485 O PHE A 190 37.891 52.93833.554 1.00 68.39 8 O ATOM 1486 CB PHE A 190 35.718 51.001 32.543 1.0065.29 6 C ATOM 1487 CG PHE A 190 34.567 50.054 32.673 1.00 65.19 6 CATOM 1488 CD1 PHE A 190 33.323 50.482 33.082 1.00 64.27 6 C ATOM 1489CD2 PHE A 190 34.718 48.705 32.386 1.00 64.92 6 C ATOM 1490 CE1 PHE A190 32.251 49.630 33.210 1.00 63.20 6 C ATOM 1491 CE2 PHE A 190 33.66447.817 32.504 1.00 63.08 6 C ATOM 1492 CZ PHE A 190 32.435 48.292 32.9181.00 64.25 6 C ATOM 1493 N ASN A 191 38.668 51.024 32.656 1.00 67.84 7 NATOM 1494 CA ASN A 191 39.833 51.619 32.033 1.00 69.14 6 C ATOM 1495 CASN A 191 39.275 52.227 30.736 1.00 70.15 6 C ATOM 1496 O ASN A 19139.398 51.726 29.620 1.00 71.20 8 O ATOM 1497 CB ASN A 191 40.837 50.52231.749 1.00 70.43 6 C ATOM 1498 CG ASN A 191 42.133 51.041 31.155 1.0074.02 6 C ATOM 1499 OD1 ASN A 191 42.438 52.252 31.143 1.00 74.23 8 OATOM 1500 ND2 ASN A 191 42.922 50.076 30.646 1.00 75.60 7 N ATOM 1501 NILE A 192 38.569 53.351 30.801 1.00 70.10 7 N ATOM 1502 CA ILE A 19238.005 53.936 29.592 1.00 68.54 6 C ATOM 1503 C ILE A 192 39.087 54.12828.569 1.00 68.27 6 C ATOM 1504 O ILE A 192 40.208 54.402 28.964 1.0070.43 8 O ATOM 1505 CB ILE A 192 37.240 55.199 29.982 1.00 68.93 6 CATOM 1506 CG1 ILE A 192 35.891 54.703 30.531 1.00 69.76 6 C ATOM 1507CG2 ILE A 192 37.089 56.092 28.782 1.00 68.75 6 C ATOM 1508 CD1 ILE A192 35.156 55.660 31.446 1.00 71.78 6 C ATOM 1509 N ILE A 193 38.80353.910 27.293 1.00 66.79 7 N ATOM 1510 CA ILE A 193 39.711 54.066 26.1841.00 65.12 6 C ATOM 1511 C ILE A 193 38.923 54.852 25.149 1.00 68.03 6 CATOM 1512 O ILE A 193 37.992 54.379 24.495 1.00 69.41 8 O ATOM 1513 CBILE A 193 40.143 52.758 25.503 1.00 63.59 6 C ATOM 1514 CG1 ILE A 19340.971 51.924 26.478 1.00 65.29 6 C ATOM 1515 CG2 ILE A 193 40.87653.078 24.206 1.00 61.15 6 C ATOM 1516 CD1 ILE A 193 42.001 51.01425.806 1.00 67.25 6 C ATOM 1517 N GLU A 194 39.123 56.044 24.733 1.0068.29 7 N ATOM 1518 CA GLU A 194 38.889 57.251 24.128 1.00 66.82 6 CATOM 1519 C GLU A 194 38.970 57.244 22.616 1.00 65.67 6 C ATOM 1520 OGLU A 194 40.003 57.132 21.950 1.00 66.30 8 O ATOM 1521 CB GLU A 19439.892 58.291 24.637 1.00 68.66 6 C ATOM 1522 CG GLU A 194 39.800 57.93426.157 0.00 25.00 6 C ATOM 1523 CD GLU A 194 40.848 58.903 26.668 0.0025.00 6 C ATOM 1524 OE1 GLU A 194 41.713 59.320 25.870 0.00 25.00 8 OATOM 1525 OE2 GLU A 194 40.802 59.247 27.869 0.00 25.00 8 O ATOM 1526 NILE A 195 37.702 57.319 22.136 1.00 61.00 7 N ATOM 1527 CA ILE A 19537.961 57.195 20.696 1.00 60.90 6 C ATOM 1528 C ILE A 195 37.914 58.61220.207 1.00 61.82 6 C ATOM 1529 O ILE A 195 36.943 59.242 20.576 1.0064.02 8 O ATOM 1530 CB ILE A 195 37.155 56.016 20.185 1.00 58.85 6 CATOM 1531 CG1 ILE A 195 37.607 54.644 20.670 1.00 58.74 6 C ATOM 1532CG2 ILE A 195 37.224 56.122 18.680 1.00 54.89 6 C ATOM 1533 CD1 ILE A195 39.069 54.274 20.582 1.00 57.69 6 C ATOM 1534 N PRO A 196 38.92359.017 19.467 1.00 61.34 7 N ATOM 1535 CA PRO A 196 38.980 60.333 18.8851.00 63.28 6 C ATOM 1536 C PRO A 196 37.769 60.521 17.977 1.00 65.53 6 CATOM 1537 O PRO A 196 37.455 59.613 17.211 1.00 66.74 8 O ATOM 1538 CBPRO A 196 40.213 60.261 17.991 1.00 62.20 6 C ATOM 1539 CG PRO A 19641.062 59.159 18.542 1.00 62.55 6 C ATOM 1540 CD PRO A 196 40.080 58.16719.078 1.00 61.87 6 C ATOM 1541 N GLU A 197 37.072 61.644 17.969 1.0065.81 7 N ATOM 1542 CA GLU A 197 35.896 61.787 17.120 1.00 65.73 6 CATOM 1543 C GLU A 197 36.151 61.579 15.646 1.00 64.55 6 C ATOM 1544 OGLU A 197 35.227 61.107 14.943 1.00 61.75 8 O ATOM 1545 CB GLU A 19735.196 63.134 17.332 1.00 67.28 6 C ATOM 1546 CG GLU A 197 34.012 63.40516.579 0.00 25.00 6 C ATOM 1547 CD GLU A 197 33.455 64.799 16.789 0.0025.00 6 C ATOM 1548 OE1 GLU A 197 34.083 65.585 17.529 0.00 25.00 8 OATOM 1549 OE2 GLU A 197 32.390 65.106 16.213 0.00 25.00 8 O ATOM 1550 NGLU A 198 37.361 61.843 15.117 1.00 64.29 7 N ATOM 1551 CA GLU A 19837.547 61.575 13.666 1.00 63.21 6 C ATOM 1552 C GLU A 198 37.470 60.04813.500 1.00 62.44 6 C ATOM 1553 O GLU A 198 37.082 59.632 12.414 1.0064.04 8 O ATOM 1554 CB GLU A 198 38.736 62.257 13.017 1.00 63.11 6 CATOM 1555 CG GLU A 198 38.854 63.560 12.947 0.00 25.00 6 C ATOM 1556 CDGLU A 198 39.673 64.083 14.088 0.00 25.00 6 C ATOM 1557 OE1 GLU A 19840.184 63.247 14.864 0.00 25.00 8 O ATOM 1558 OE2 GLU A 198 39.80565.311 14.210 0.00 25.00 8 O ATOM 1559 N GLU A 199 37.756 59.250 14.5201.00 59.04 7 N ATOM 1560 CA GLU A 199 37.674 57.812 14.540 1.00 57.74 6C ATOM 1561 C GLU A 199 36.488 57.305 15.363 1.00 55.26 6 C ATOM 1562 OGLU A 199 36.479 56.229 15.959 1.00 55.68 8 O ATOM 1563 CB GLU A 19939.028 57.276 15.092 1.00 58.08 6 C ATOM 1564 CG GLU A 199 40.197 57.34314.110 1.00 61.18 6 C ATOM 1565 CD GLU A 199 41.375 56.461 14.504 1.0065.23 6 C ATOM 1566 OE1 GLU A 199 41.460 55.614 15.464 1.00 66.14 8 OATOM 1567 OE2 GLU A 199 42.416 56.576 13.786 1.00 66.97 8 O ATOM 1568 NSER A 200 35.380 57.990 15.534 1.00 54.20 7 N ATOM 1569 CA SER A 20034.264 57.468 16.356 1.00 55.68 6 C ATOM 1570 C SER A 200 33.771 56.12415.822 1.00 55.37 6 C ATOM 1571 O SER A 200 33.535 55.163 16.607 1.0057.10 8 O ATOM 1572 CB SER A 200 33.190 58.510 16.625 1.00 57.62 6 CATOM 1573 OG SER A 200 32.422 58.898 15.481 1.00 59.81 8 O ATOM 1574 NTYR A 201 33.658 55.870 14.514 1.00 51.39 7 N ATOM 1575 CA TYR A 20133.289 54.536 14.053 1.00 49.13 6 C ATOM 1576 C TYR A 201 34.050 53.41114.734 1.00 46.41 6 C ATOM 1577 O TYR A 201 33.471 52.361 15.033 1.0046.32 8 O ATOM 1578 CB TYR A 201 33.376 54.384 12.536 1.00 48.20 6 CATOM 1579 CG TYR A 201 32.801 53.150 11.864 1.00 48.31 6 C ATOM 1580 CD1TYR A 201 31.446 52.833 11.909 1.00 46.03 6 C ATOM 1581 CD2 TYR A 20133.634 52.271 11.160 1.00 47.27 6 C ATOM 1582 CE1 TYR A 201 30.93051.717 11.299 1.00 44.02 6 C ATOM 1583 CE2 TYR A 201 33.144 51.14610.537 1.00 44.47 6 C ATOM 1584 CZ TYR A 201 31.789 50.868 10.609 1.0044.31 6 C ATOM 1585 OH TYR A 201 31.315 49.730 9.978 1.00 39.36 8 O ATOM1586 N ALA A 202 35.328 53.475 15.027 1.00 47.02 7 N ATOM 1587 CA ALA A202 36.133 52.427 15.653 1.00 44.43 6 C ATOM 1588 C ALA A 202 35.73352.107 17.047 1.00 46.51 6 C ATOM 1589 O ALA A 202 36.293 51.210 17.6671.00 50.94 8 O ATOM 1590 CB ALA A 202 37.602 52.780 15.673 1.00 42.28 6C ATOM 1591 N ALA A 203 34.760 52.749 17.670 1.00 47.90 7 N ATOM 1592 CAALA A 203 34.361 52.380 19.018 1.00 47.87 6 C ATOM 1593 C ALA A 20333.633 51.040 19.009 1.00 47.45 6 C ATOM 1594 O ALA A 203 33.381 50.38120.034 1.00 49.50 8 O ATOM 1595 CB ALA A 203 33.475 53.542 19.470 1.0049.39 6 C ATOM 1596 N ASN A 204 33.235 50.554 17.852 1.00 45.04 7 N ATOM1597 CA ASN A 204 32.473 49.314 17.661 1.00 43.05 6 C ATOM 1598 C ASN A204 33.456 48.263 17.188 1.00 41.25 6 C ATOM 1599 O ASN A 204 33.81848.134 16.021 1.00 41.10 8 O ATOM 1600 CB ASN A 204 31.261 49.579 16.7841.00 41.59 6 C ATOM 1601 CG ASN A 204 30.545 48.426 16.175 1.00 45.98 6C ATOM 1602 OD1 ASN A 204 30.765 47.242 16.492 1.00 49.13 8 O ATOM 1603ND2 ASN A 204 29.603 48.565 15.223 1.00 47.73 7 N ATOM 1604 N CYS A 20533.955 47.488 18.127 1.00 36.51 7 N ATOM 1605 CA CYS A 205 34.986 46.52117.788 1.00 33.94 6 C ATOM 1606 C CYS A 205 34.516 45.291 18.543 1.0035.73 6 C ATOM 1607 O CYS A 205 33.765 45.586 19.453 1.00 34.23 8 O ATOM1608 CB CYS A 205 36.284 47.042 18.458 1.00 32.65 6 C ATOM 1609 SG CYS A205 37.001 48.237 17.296 1.00 40.44 16 S ATOM 1610 N ILE A 206 35.00244.096 18.233 1.00 34.95 7 N ATOM 1611 CA ILE A 206 34.522 43.018 19.0951.00 32.63 6 C ATOM 1612 C ILE A 206 35.711 42.189 19.578 1.00 33.52 6 CATOM 1613 O ILE A 206 36.687 42.130 18.864 1.00 35.63 8 O ATOM 1614 CBILE A 206 33.633 42.078 18.349 1.00 31.19 6 C ATOM 1615 CG1 ILE A 20634.233 41.870 16.952 1.00 28.33 6 C ATOM 1616 CG2 ILE A 206 32.17542.449 18.289 1.00 32.94 6 C ATOM 1617 CD1 ILE A 206 33.674 40.53716.426 1.00 32.06 6 C ATOM 1618 N TRP A 207 35.544 41.663 20.776 1.0033.42 7 N ATOM 1619 CA TRP A 207 36.530 40.895 21.417 1.00 34.40 6 CATOM 1620 C TRP A 207 36.245 39.445 21.077 1.00 36.42 6 C ATOM 1621 OTRP A 207 35.087 39.046 21.243 1.00 35.39 8 O ATOM 1622 CB TRP A 20736.366 41.069 22.947 1.00 33.30 6 C ATOM 1623 CG TRP A 207 37.287 40.10823.700 1.00 30.66 6 C ATOM 1624 CD1 TRP A 207 38.602 40.405 23.942 1.0029.27 6 C ATOM 1625 CD2 TRP A 207 36.989 38.838 24.240 1.00 27.00 6 CATOM 1626 NE1 TRP A 207 39.089 39.323 24.629 1.00 31.52 7 N ATOM 1627CE2 TRP A 207 38.171 38.360 24.835 1.00 26.28 6 C ATOM 1628 CE3 TRP A207 35.847 38.032 24.303 1.00 28.27 6 C ATOM 1629 CZ2 TRP A 207 38.28637.153 25.465 1.00 26.07 6 C ATOM 1630 CZ3 TRP A 207 35.961 36.77324.966 1.00 29.27 6 C ATOM 1631 CH2 TRP A 207 37.180 36.344 25.536 1.0028.64 6 C ATOM 1632 N VAL A 208 37.213 38.628 20.651 1.00 36.26 7 N ATOM1633 CA VAL A 208 36.693 37.227 20.461 1.00 35.78 6 C ATOM 1634 C VAL A208 37.876 36.354 20.885 1.00 33.79 6 C ATOM 1635 O VAL A 208 38.79436.416 20.062 1.00 33.39 8 O ATOM 1636 CB VAL A 208 36.261 36.772 19.0461.00 35.18 6 C ATOM 1637 CG1 VAL A 208 35.753 35.309 19.030 1.00 28.30 6C ATOM 1638 CG2 VAL A 208 35.147 37.646 18.498 1.00 35.67 6 C ATOM 1639N ASN A 209 37.776 35.707 22.019 1.00 34.60 7 N ATOM 1640 CA ASN A 20938.919 34.880 22.401 1.00 36.57 6 C ATOM 1641 C ASN A 209 40.254 35.56922.360 1.00 36.26 6 C ATOM 1642 O ASN A 209 41.164 34.930 21.845 1.0037.31 8 O ATOM 1643 CB ASN A 209 38.862 33.593 21.556 1.00 35.62 6 CATOM 1644 CG ASN A 209 37.512 32.990 21.932 1.00 38.86 6 C ATOM 1645 OD1ASN A 209 36.828 33.243 22.935 1.00 40.55 8 O ATOM 1646 ND2 ASN A 20937.140 32.129 21.014 1.00 38.63 7 N ATOM 1647 N GLU A 210 40.360 36.78722.909 1.00 37.34 7 N ATOM 1648 CA GLU A 210 41.628 37.466 22.986 1.0040.53 6 C ATOM 1649 C GLU A 210 42.060 38.094 21.718 1.00 41.59 6 C ATOM1650 O GLU A 210 43.191 38.592 21.728 1.00 47.48 8 O ATOM 1651 CB GLU A210 42.765 36.701 23.761 1.00 42.11 6 C ATOM 1652 CG GLU A 210 42.22936.413 25.257 0.00 25.00 6 C ATOM 1653 CD GLU A 210 41.725 37.541 26.1570.00 25.00 6 C ATOM 1654 OE1 GLU A 210 41.660 38.750 25.822 0.00 25.00 8O ATOM 1655 OE2 GLU A 210 41.328 37.326 27.342 0.00 25.00 8 O ATOM 1656N ARG A 211 41.295 38.220 20.654 1.00 41.12 7 N ATOM 1657 CA ARG A 21141.667 38.999 19.484 1.00 40.95 6 C ATOM 1658 C ARG A 211 40.539 40.02319.348 1.00 42.26 6 C ATOM 1659 O ARG A 211 39.418 39.901 19.903 1.0044.73 8 O ATOM 1660 CB ARG A 211 41.953 38.223 18.211 1.00 43.12 6 CATOM 1661 CG ARG A 211 41.398 36.796 18.458 1.00 43.12 6 C ATOM 1662 CDARG A 211 42.278 35.715 17.838 1.00 39.85 6 C ATOM 1663 NE ARG A 21142.110 34.563 18.631 1.00 39.40 7 N ATOM 1664 CZ ARG A 211 42.248 33.27518.784 1.00 41.14 6 C ATOM 1665 NH1 ARG A 211 42.768 32.400 17.921 1.0037.16 7 N ATOM 1666 NH2 ARG A 211 41.815 32.746 19.967 1.00 38.61 7 NATOM 1667 N VAL A 212 40.783 41.110 18.633 1.00 40.34 7 N ATOM 1668 CAVAL A 212 39.777 42.134 18.516 1.00 39.19 6 C ATOM 1669 C VAL A 21239.596 42.458 17.043 1.00 36.20 6 C ATOM 1670 O VAL A 212 40.612 42.64516.384 1.00 29.64 8 O ATOM 1671 CB VAL A 212 40.199 43.395 19.321 1.0039.61 6 C ATOM 1672 CG1 VAL A 212 39.308 44.535 18.956 1.00 37.43 6 CATOM 1673 CG2 VAL A 212 39.942 43.176 20.815 1.00 40.46 6 C ATOM 1674 NILE A 213 38.318 42.469 16.606 1.00 36.62 7 N ATOM 1675 CA ILE A 21337.987 42.692 15.185 1.00 36.86 6 C ATOM 1676 C ILE A 213 32.467 44.10915.115 1.00 38.51 6 C ATOM 1677 O ILE A 213 36.587 44.483 15.870 1.0040.06 8 O ATOM 1678 CB ILE A 213 37.096 41.587 14.582 1.00 38.12 6 CATOM 1679 CG1 ILE A 213 37.841 40.249 14.689 1.00 39.53 6 C ATOM 1680CG2 ILE A 213 36.862 41.753 13.070 1.00 37.90 6 C ATOM 1681 CD1 ILE A213 37.200 38.921 14.505 1.00 36.98 6 C ATOM 1682 N MET A 214 38.08844.941 14.290 1.00 40.29 7 N ATOM 1683 CA MET A 214 37.790 46.352 14.2001.00 40.33 6 C ATOM 1684 C MET A 214 37.707 46.806 12.763 1.00 39.72 6 CATOM 1685 O MET A 214 38.183 46.193 11.779 1.00 38.00 8 O ATOM 1686 CBMET A 214 38.987 47.047 14.909 1.00 44.70 6 C ATOM 1687 CG MET A 21440.326 47.090 14.203 1.00 42.63 6 C ATOM 1688 SD MET A 214 41.567 48.13215.031 1.00 46.50 16 S ATOM 1689 CE MET A 214 40.764 49.713 15.182 1.0040.28 6 C ATOM 1690 N PRO A 215 37.030 47.925 12.544 1.00 39.84 7 N ATOM1691 CA PRO A 215 36.902 48.457 11.170 1.00 41.29 6 C ATOM 1692 C PRO A215 38.316 48.763 10.706 1.00 43.86 6 C ATOM 1693 O PRO A 215 39.13248.914 11.629 1.00 49.68 8 O ATOM 1694 CB PRO A 215 36.022 49.639 11.2851.00 37.79 6 C ATOM 1695 CG PRO A 215 35.702 49.857 12.691 1.00 35.62 6C ATOM 1696 CD PRO A 215 36.380 48.820 13.515 1.00 38.80 6 C ATOM 1697 NALA A 216 38.659 48.756 9.446 1.00 44.35 7 N ATOM 1698 CA ALA A 21640.051 49.065 9.114 1.00 46.58 6 C ATOM 1699 C ALA A 216 40.096 50.5268.689 1.00 48.01 6 C ATOM 1700 O ALA A 216 39.133 50.965 8.070 1.0046.42 8 O ATOM 1701 CB ALA A 216 40.565 48.326 7.888 1.00 43.48 6 C ATOM1702 N GLY A 217 41.192 51.241 8.904 1.00 51.30 7 N ATOM 1703 CA GLY A217 41.115 52.625 8.371 1.00 49.57 6 C ATOM 1704 C GLY A 217 41.05653.592 9.524 1.00 49.26 6 C ATOM 1705 O GLY A 217 40.847 54.767 9.2771.00 52.66 8 O ATOM 1706 N TYR A 218 41.218 53.139 10.753 1.00 48.14 7 NATOM 1707 CA TYR A 218 41.201 53.879 11.998 1.00 49.82 6 C ATOM 1708 CTYR A 218 42.473 53.531 12.787 1.00 52.79 6 C ATOM 1709 O TYR A 21842.423 52.786 13.738 1.00 54.53 8 O ATOM 1710 CB TYR A 218 39.929 53.56112.822 1.00 47.34 6 C ATOM 1711 CG TYR A 218 38.732 53.777 11.888 1.0046.54 6 C ATOM 1712 CD1 TYR A 218 38.230 52.720 11.120 1.00 43.64 6 CATOM 1713 CD2 TYR A 218 38.141 55.027 11.797 1.00 43.52 6 C ATOM 1714CE1 TYR A 218 37.149 52.943 10.276 1.00 43.74 6 C ATOM 1715 CE2 TYR A218 37.067 55.206 10.950 1.00 42.71 6 C ATOM 1716 CZ TYR A 218 36.56554.191 10.191 1.00 43.20 6 C ATOM 1717 OH TYR A 218 35.499 54.405 9.3571.00 43.35 8 O ATOM 1718 N PRO A 219 43.614 54.140 12.426 1.00 55.73 7 NATOM 1719 CA PRO A 219 44.902 53.935 13.019 1.00 55.81 6 C ATOM 1720 CPRO A 219 45.160 54.255 14.468 1.00 56.79 6 C ATOM 1721 O PRO A 21945.972 53.512 15.063 1.00 58.30 8 O ATOM 1722 CB PRO A 219 45.901 54.74412.185 1.00 55.80 6 C ATOM 1723 CG PRO A 219 45.147 55.294 11.017 1.0055.83 6 C ATOM 1724 CD PRO A 219 43.689 55.129 11.295 1.00 55.36 6 CATOM 1725 N ARG A 220 44.563 55.269 15.100 1.00 57.18 7 N ATOM 1726 CAARG A 220 44.941 55.451 16.517 1.00 57.81 6 C ATOM 1727 C ARG A 22044.292 54.302 17.262 1.00 59.10 6 C ATOM 1728 O ARG A 220 44.997 53.57217.974 1.00 62.71 8 O ATOM 1729 CB ARG A 220 44.499 56.755 17.108 1.0060.33 6 C ATOM 1730 CG ARG A 220 45.459 57.755 16.938 0.00 25.00 6 CATOM 1731 CD ARG A 220 44.915 59.019 17.565 0.00 25.00 6 C ATOM 1732 NEARG A 220 45.720 60.171 17.201 0.00 25.00 7 N ATOM 1733 CZ ARG A 22045.496 61.403 17.626 0.00 25.00 6 C ATOM 1734 NH1 ARG A 220 44.48061.649 18.439 0.00 25.00 7 N ATOM 1735 NH2 ARG A 220 46.291 62.38917.235 0.00 25.00 7 N ATOM 1736 N THR A 221 42.984 54.125 17.028 1.0055.43 7 N ATOM 1737 CA THR A 221 42.311 53.014 17.720 1.00 50.58 6 CATOM 1738 C THR A 221 43.093 51.746 17.504 1.00 50.04 6 C ATOM 1739 OTHR A 221 43.182 51.002 18.526 1.00 47.68 8 O ATOM 1740 CB THR A 22140.839 53.010 17.271 1.00 50.88 6 C ATOM 1741 OG1 THR A 221 40.13554.254 17.581 1.00 50.84 8 O ATOM 1742 CG2 THR A 221 40.073 51.86617.908 1.00 48.23 6 C ATOM 1743 N ARG A 222 43.662 51.430 16.305 1.0049.47 7 N ATOM 1744 CA ARG A 222 44.413 50.147 16.243 1.00 49.87 6 CATOM 1745 C ARG A 222 45.541 50.186 17.256 1.00 50.26 6 C ATOM 1746 OARG A 222 45.660 49.216 17.999 1.00 51.16 8 O ATOM 1747 CB ARG A 22244.948 49.709 14.900 1.00 51.29 6 C ATOM 1748 CG ARG A 222 45.643 48.36614.837 1.00 53.06 6 C ATOM 1749 CD ARG A 222 46.669 47.783 13.733 0.0025.00 6 C ATOM 1750 NE ARG A 222 47.574 46.698 14.032 0.00 25.00 7 NATOM 1751 CZ ARG A 222 48.561 46.784 14.909 0.00 25.00 6 C ATOM 1752 NH1ARG A 222 48.777 47.920 15.558 0.00 25.00 7 N ATOM 1753 NH2 ARG A 22249.330 45.731 15.135 0.00 25.00 7 N ATOM 1754 N GLU A 223 46.336 51.28917.275 1.00 51.54 7 N ATOM 1755 CA GLU A 223 47.411 51.301 18.283 1.0053.43 6 C ATOM 1756 C GLU A 223 46.832 51.298 19.689 1.00 51.80 6 C ATOM1757 O GLU A 223 47.170 50.466 20.546 1.00 54.40 8 O ATOM 1758 CB GLU A223 48.358 52.487 18.094 1.00 56.00 6 C ATOM 1759 CG GLU A 223 49.03652.423 16.692 0.00 25.00 6 C ATOM 1760 CD GLU A 223 50.012 53.553 16.5050.00 25.00 6 C ATOM 1761 OE1 GLU A 223 49.926 54.538 17.265 0.00 25.00 8O ATOM 1762 OE2 GLU A 223 50.861 53.450 15.599 0.00 25.00 8 O ATOM 1763N LYS A 224 45.886 52.179 19.966 1.00 50.35 7 N ATOM 1764 CA LYS A 22445.340 52.212 21.327 1.00 53.36 6 C ATOM 1765 C LYS A 224 44.923 50.81621.712 1.00 55.26 6 C ATOM 1766 O LYS A 224 45.283 50.472 22.839 1.0057.53 8 O ATOM 1767 CB LYS A 224 44.342 53.340 21.466 1.00 54.87 6 CATOM 1768 CG LYS A 224 44.582 54.743 21.028 0.00 25.00 6 C ATOM 1769 CDLYS A 224 43.763 55.781 21.814 0.00 25.00 6 C ATOM 1770 CE LYS A 22443.714 57.131 21.098 0.00 25.00 6 C ATOM 1771 NZ LYS A 224 43.378 58.25522.024 0.00 25.00 7 N ATOM 1772 N ILE A 225 44.296 49.975 20.894 1.0056.19 7 N ATOM 1773 CA ILE A 225 43.926 48.634 21.281 1.00 56.15 6 CATOM 1774 C ILE A 225 45.068 47.625 21.203 1.00 55.37 6 C ATOM 1775 OILE A 225 45.128 46.757 22.087 1.00 54.68 8 O ATOM 1776 CB ILE A 22542.798 48.059 20.397 1.00 58.42 6 C ATOM 1777 CG1 ILE A 225 41.69049.080 20.154 1.00 58.53 6 C ATOM 1778 CG2 ILE A 225 42.233 46.74920.982 1.00 57.48 6 C ATOM 1779 CD1 ILE A 225 40.467 48.500 19.477 1.0058.69 6 C ATOM 1780 N ALA A 226 45.893 47.746 20.170 1.00 53.98 7 N ATOM1781 CA ALA A 226 47.024 46.849 20.030 1.00 56.01 6 C ATOM 1782 C ALA A226 47.956 46.906 21.226 1.00 59.14 6 C ATOM 1783 O ALA A 226 48.45245.821 21.565 1.00 59.23 8 O ATOM 1784 CB ALA A 226 47.788 47.214 18.7671.00 57.58 6 C ATOM 1785 N ARG A 227 48.173 48.063 21.904 1.00 61.13 7 NATOM 1786 CA ARG A 227 49.026 48.117 23.075 1.00 63.62 6 C ATOM 1787 CARG A 227 48.611 47.338 24.314 1.00 64.16 6 C ATOM 1788 O ARG A 22749.437 46.972 25.176 1.00 66.16 8 O ATOM 1789 CB ARG A 227 49.152 49.58923.529 1.00 65.62 6 C ATOM 1790 CG ARG A 227 50.119 50.424 22.618 0.0025.00 6 C ATOM 1791 CD ARG A 227 50.137 51.866 23.123 0.00 25.00 6 CATOM 1792 NE ARG A 227 50.816 52.764 22.193 0.00 25.00 7 N ATOM 1793 CZARG A 227 50.977 54.075 22.377 0.00 25.00 6 C ATOM 1794 NH1 ARG A 22750.505 54.662 23.467 0.00 25.00 7 N ATOM 1795 NH2 ARG A 227 51.61554.796 21.461 0.00 25.00 7 N ATOM 1796 N LEU A 228 47.332 47.023 24.4681.00 63.40 7 N ATOM 1797 CA LEU A 228 46.800 46.309 25.616 1.00 65.63 6C ATOM 1798 C LEU A 228 47.119 44.824 25.539 1.00 66.14 6 C ATOM 1799 OLEU A 228 46.831 44.063 26.479 1.00 67.67 8 O ATOM 1800 CB LEU A 22845.308 46.555 25.811 1.00 65.36 6 C ATOM 1801 CG LEU A 228 44.910 48.04425.837 1.00 66.97 6 C ATOM 1802 CD1 LEU A 228 44.306 48.481 24.516 1.0068.89 6 C ATOM 1803 CD2 LEU A 228 43.905 48.312 26.950 1.00 66.75 6 CATOM 1804 N GLY A 229 47.740 44.440 24.418 1.00 65.41 7 N ATOM 1805 CAGLY A 229 48.124 43.030 24.260 1.00 65.53 6 C ATOM 1806 C GLY A 22947.176 42.184 23.423 1.00 64.09 6 C ATOM 1807 O GLY A 229 47.252 40.95323.438 1.00 65.55 8 O ATOM 1808 N TYR A 230 46.267 42.770 22.656 1.0060.84 7 N ATOM 1809 CA TYR A 230 45.295 42.028 21.903 1.00 59.56 6 CATOM 1810 C TYR A 230 45.682 41.704 20.475 1.00 58.97 6 C ATOM 1811 OTYR A 230 46.143 42.642 19.791 1.00 61.04 8 O ATOM 1812 CB TYR A 23044.001 42.830 21.752 1.00 59.91 6 C ATOM 1813 CG TYR A 230 43.187 43.06822.993 1.00 59.58 6 C ATOM 1814 CD1 TYR A 230 42.594 42.015 23.660 1.0060.51 6 C ATOM 1815 CD2 TYR A 230 43.010 44.340 23.496 1.00 59.34 6 CATOM 1816 CE1 TYR A 230 41.834 42.218 24.813 1.00 60.26 6 C ATOM 1817CE2 TYR A 230 42.253 44.542 24.646 1.00 59.88 6 C ATOM 1818 CZ TYR A 23041.670 43.484 25.296 1.00 58.58 6 C ATOM 1819 OH TYR A 230 40.938 43.73526.419 1.00 59.32 8 O ATOM 1820 N ARG A 231 45.450 40.459 20.016 1.0054.96 7 N ATOM 1821 CA ARG A 231 45.865 40.304 18.617 1.00 54.15 6 CATOM 1822 C ARG A 231 44.813 41.052 17.794 1.00 50.91 6 C ATOM 1823 OARG A 231 43.708 40.489 17.728 1.00 53.46 8 O ATOM 1824 CB ARG A 23146.004 38.908 18.034 1.00 56.43 6 C ATOM 1825 CG ARG A 231 45.930 38.88616.666 0.00 25.00 6 C ATOM 1826 CD ARG A 231 46.207 37.382 16.461 0.0025.00 6 C ATOM 1827 NE ARG A 231 47.397 37.103 17.282 0.00 25.00 7 NATOM 1828 CZ ARG A 231 47.860 35.910 17.610 0.00 25.00 6 C ATOM 1829 NH1ARG A 231 47.214 34.830 17.163 0.00 25.00 7 N ATOM 1830 NH2 ARG A 23148.963 35.851 18.360 0.00 25.00 7 N ATOM 1831 N VAL A 232 45.111 42.18717.211 1.00 44.43 7 N ATOM 1832 CA VAL A 232 44.108 42.901 16.474 1.0042.47 6 C ATOM 1833 C VAL A 232 43.958 42.460 15.032 1.00 43.54 6 C ATOM1834 O VAL A 232 44.988 42.214 14.396 1.00 46.25 8 O ATOM 1835 CB VAL A232 44.517 44.388 16.488 1.00 42.47 6 C ATOM 1836 CG1 VAL A 232 43.54345.305 15.780 1.00 41.72 6 C ATOM 1837 CG2 VAL A 232 44.716 44.75717.957 1.00 43.14 6 C ATOM 1838 N ILE A 233 42.739 42.388 14.500 1.0040.02 7 N ATOM 1839 CA ILE A 233 42.510 42.012 13.113 1.00 36.26 6 CATOM 1840 C ILE A 233 41.665 43.090 12.464 1.00 38.47 6 C ATOM 1841 OILE A 233 40.659 43.416 13.134 1.00 43.21 8 O ATOM 1842 CB ILE A 23341.660 40.751 12.968 1.00 34.33 6 C ATOM 1843 CG1 ILE A 233 42.01639.642 13.973 1.00 30.26 6 C ATOM 1844 CG2 ILE A 233 41.740 40.37911.503 1.00 32.65 6 C ATOM 1845 CD1 ILE A 233 41.706 38.261 13.420 1.0025.33 6 C ATOM 1846 N GLU A 234 41.986 43.694 11.367 1.00 39.81 7 N ATOM1847 CA GLU A 234 41.212 44.751 10.810 1.00 42.23 6 C ATOM 1848 C GLU A234 40.439 44.306 9.571 1.00 42.51 6 C ATOM 1849 O GLU A 234 41.01043.701 8.651 1.00 42.80 8 O ATOM 1850 CB GLU A 234 42.014 45.942 10.2581.00 45.69 6 C ATOM 1851 CG GLU A 234 43.050 46.367 11.276 1.00 51.51 6C ATOM 1852 CD GLU A 234 43.939 47.450 10.658 1.00 54.18 6 C ATOM 1853OE1 GLU A 234 43.510 48.436 10.065 1.00 54.73 8 O ATOM 1854 OE2 GLU A234 45.130 47.136 10.872 1.00 60.36 8 O ATOM 1855 N VAL A 235 39.15044.675 9.549 1.00 38.95 7 N ATOM 1856 CA VAL A 235 38.315 44.308 8.4021.00 32.27 6 C ATOM 1857 C VAL A 235 37.584 45.510 7.845 1.00 32.84 6 CATOM 1858 O VAL A 235 36.967 46.319 8.571 1.00 39.63 8 O ATOM 1859 CBVAL A 235 37.286 43.250 8.815 1.00 29.09 6 C ATOM 1860 CG1 VAL A 23536.242 43.119 7.739 1.00 30.71 6 C ATOM 1861 CG2 VAL A 235 38.018 41.9108.971 1.00 26.44 6 C ATOM 1862 N ASP A 236 37.576 45.748 6.595 1.0029.05 7 N ATOM 1863 CA ASP A 236 37.016 46.831 5.879 1.00 29.93 6 C ATOM1864 C ASP A 236 35.522 46.570 5.845 1.00 32.97 6 C ATOM 1865 O ASP A236 34.997 45.701 5.131 1.00 37.80 8 O ATOM 1866 CB ASP A 236 37.58947.067 4.471 1.00 30.16 6 C ATOM 1867 CG ASP A 236 37.108 48.346 3.8081.00 34.70 6 C ATOM 1868 OD1 ASP A 236 36.209 49.041 4.409 1.00 39.80 8O ATOM 1869 OD2 ASP A 236 37.496 48.826 2.701 1.00 33.27 8 O ATOM 1870 NTHR A 237 34.741 47.328 6.584 1.00 32.66 7 N ATOM 1871 CA THR A 23733.335 47.247 6.674 1.00 33.54 6 C ATOM 1872 C THR A 237 32.742 48.5326.144 1.00 35.71 6 C ATOM 1873 O THR A 237 31.618 48.915 6.390 1.0037.77 8 O ATOM 1874 CB THR A 237 32.871 46.988 8.092 1.00 34.57 6 C ATOM1875 OG1 THR A 237 33.186 48.191 8.773 1.00 37.21 8 O ATOM 1876 CG2 THRA 237 33.563 45.759 8.685 1.00 33.69 6 C ATOM 1877 N SER A 238 33.46449.215 5.290 1.00 36.98 7 N ATOM 1878 CA SER A 238 33.024 50.483 4.7391.00 37.00 6 C ATOM 1879 C SER A 238 31.648 50.373 4.196 1.00 39.28 6 CATOM 1880 O SER A 238 30.950 51.346 4.509 1.00 45.03 8 O ATOM 1881 CBSER A 238 33.899 50.997 3.604 1.00 37.13 6 C ATOM 1882 OG SER A 23833.618 50.300 2.367 1.00 40.52 8 O ATOM 1883 N GLU A 239 31.242 49.3523.428 1.00 37.51 7 N ATOM 1884 CA GLU A 239 29.827 49.466 3.028 1.0035.11 6 C ATOM 1885 C GLU A 239 28.885 49.210 4.197 1.00 34.31 6 C ATOM1886 O GLU A 239 27.694 49.497 4.037 1.00 37.23 8 O ATOM 1887 CB GLU A239 29.637 48.453 1.902 1.00 35.91 6 C ATOM 1888 CG GLU A 239 30.67348.554 0.825 1.00 37.60 6 C ATOM 1889 CD GLU A 239 30.455 49.892 0.1301.00 40.45 6 C ATOM 1890 OE1 GLU A 239 29.345 50.192 −0.347 1.00 42.01 8O ATOM 1891 OE2 GLU A 239 31.406 50.681 0.052 1.00 45.12 8 O ATOM 1892 NTYR A 240 29.129 48.680 5.364 1.00 31.35 7 N ATOM 1893 CA TYR A 24028.242 48.478 6.470 1.00 31.70 6 C ATOM 1894 C TYR A 240 28.063 49.8257.220 1.00 35.64 6 C ATOM 1895 O TYR A 240 26.994 50.147 7.798 1.0037.04 8 O ATOM 1896 CB TYR A 240 28.746 47.314 7.401 1.00 27.47 6 C ATOM1897 CG TYR A 240 28.527 46.099 6.499 1.00 28.07 6 C ATOM 1898 CD1 TYR A240 29.590 45.548 5.794 1.00 26.26 6 C ATOM 1899 CD2 TYR A 240 27.23745.537 6.368 1.00 23.44 6 C ATOM 1900 CE1 TYR A 240 29.409 44.453 4.9651.00 23.22 6 C ATOM 1901 CE2 TYR A 240 27.089 44.457 5.543 1.00 20.35 6C ATOM 1902 CZ TYR A 240 28.167 43.928 4.852 1.00 22.01 6 C ATOM 1903 OHTYR A 240 27.936 42.833 4.038 1.00 19.69 8 O ATOM 1904 N ARG A 24129.097 50.609 7.207 1.00 34.06 7 N ATOM 1905 CA ARG A 241 29.134 51.9007.870 1.00 40.82 6 C ATOM 1906 C ARG A 241 28.056 52.812 7.285 1.0043.73 6 C ATOM 1907 O ARG A 241 27.202 53.445 7.922 1.00 41.78 8 O ATOM1908 CB ARG A 241 30.540 52.485 7.601 1.00 38.65 6 C ATOM 1909 CG ARG A241 30.469 53.944 8.036 1.00 41.33 6 C ATOM 1910 CD ARG A 241 31.85054.429 8.445 1.00 42.66 6 C ATOM 1911 NE ARG A 241 31.795 55.804 8.8461.00 50.06 7 N ATOM 1912 CZ ARG A 241 32.088 56.825 8.037 1.00 52.28 6 CATOM 1913 NH1 ARG A 241 32.446 56.555 6.793 1.00 51.84 7 N ATOM 1914 NH2ARG A 241 32.040 58.095 8.410 1.00 53.84 7 N ATOM 1915 N LYS A 24227.994 52.750 5.925 1.00 45.81 7 N ATOM 1916 CA LYS A 242 27.021 53.5075.188 1.00 45.61 6 C ATOM 1917 C LYS A 242 25.622 53.187 5.703 1.0044.16 6 C ATOM 1918 O LYS A 242 24.757 54.046 5.417 1.00 45.96 8 O ATOM1919 CB LYS A 242 27.024 53.359 3.668 1.00 45.65 6 C ATOM 1920 CG LYS A242 28.386 53.678 3.069 1.00 45.89 6 C ATOM 1921 CD LYS A 242 28.34153.500 1.566 1.00 44.34 6 C ATOM 1922 CE LYS A 242 29.725 53.173 1.0221.00 43.84 6 C ATOM 1923 NZ LYS A 242 29.513 52.924 −0.465 1.00 49.40 7N ATOM 1924 N ILE A 243 25.378 52.116 6.378 1.00 39.32 7 N ATOM 1925 CAILE A 243 24.011 51.912 6.871 1.00 39.57 6 C ATOM 1926 C ILE A 24324.070 51.775 8.394 1.00 41.19 6 C ATOM 1927 O ILE A 243 23.255 51.1069.018 1.00 41.14 8 O ATOM 1928 CB ILE A 243 23.352 50.758 6.106 1.0037.97 6 C ATOM 1929 CG1 ILE A 243 24.253 49.537 5.977 1.00 36.16 6 CATOM 1930 CG2 ILE A 243 22.947 51.150 4.689 1.00 36.16 6 C ATOM 1931 CD1ILE A 243 23.627 48.377 5.236 1.00 33.76 6 C ATOM 1932 N ASP A 24425.060 52.425 9.003 1.00 43.35 7 N ATOM 1933 CA ASP A 244 25.304 52.42410.436 1.00 46.12 6 C ATOM 1934 C ASP A 244 25.413 51.085 11.133 1.0045.02 6 C ATOM 1935 O ASP A 244 24.770 50.774 12.136 1.00 47.32 8 O ATOM1936 CB ASP A 244 24.240 53.315 11.103 1.00 51.54 6 C ATOM 1937 CG ASP A244 24.391 54.776 10.722 1.00 57.18 6 C ATOM 1938 OD1 ASP A 244 25.37455.425 10.244 1.00 60.02 8 O ATOM 1939 OD2 ASP A 244 23.316 55.37710.946 1.00 61.67 8 O ATOM 1940 N GLY A 245 26.262 50.184 10.635 1.0043.80 7 N ATOM 1941 CA GLY A 245 26.499 48.851 11.232 1.00 35.29 6 CATOM 1942 C GLY A 245 28.005 48.616 11.062 1.00 32.59 6 C ATOM 1943 OGLY A 245 28.715 49.192 10.254 1.00 30.63 8 O ATOM 1944 N GLY A 24628.565 47.705 11.778 1.00 33.22 7 N ATOM 1945 CA GLY A 246 29.937 47.35011.799 1.00 30.36 6 C ATOM 1946 C GLY A 246 30.123 46.035 12.478 1.0031.65 6 C ATOM 1947 O GLY A 246 29.079 45.357 12.639 1.00 39.23 8 O ATOM1948 N VAL A 247 31.324 45.721 12.826 1.00 27.74 7 N ATOM 1949 CA VAL A247 31.715 44.442 13.326 1.00 30.79 6 C ATOM 1950 C VAL A 247 30.90643.934 14.469 1.00 31.67 6 C ATOM 1951 O VAL A 247 30.432 42.789 14.2261.00 36.18 8 O ATOM 1952 CB VAL A 247 33.254 44.308 13.499 1.00 33.23 6C ATOM 1953 CG1 VAL A 247 33.838 44.731 12.114 1.00 28.99 6 C ATOM 1954CG2 VAL A 247 33.699 45.154 14.691 1.00 29.14 6 C ATOM 1955 N SER A 24830.575 44.558 15.536 1.00 31.24 7 N ATOM 1956 CA SER A 248 29.713 43.85316.503 1.00 32.91 6 C ATOM 1957 C SER A 248 28.346 43.551 15.948 1.0030.13 6 C ATOM 1958 O SER A 248 27.669 42.597 16.391 1.00 29.30 8 O ATOM1959 CB SER A 248 29.570 44.795 17.724 1.00 33.72 6 C ATOM 1960 OG SER A248 28.169 44.870 18.039 1.00 35.59 8 O ATOM 1961 N CYS A 249 27.86144.333 14.995 1.00 29.88 7 N ATOM 1962 CA CYS A 249 26.442 44.080 14.6121.00 33.92 6 C ATOM 1963 C CYS A 249 26.224 42.858 13.749 1.00 32.35 6 CATOM 1964 O CYS A 249 25.122 42.338 13.570 1.00 32.83 8 O ATOM 1965 CBCYS A 249 25.687 45.208 13.881 1.00 32.82 6 C ATOM 1966 SG CYS A 24926.132 46.893 14.308 1.00 40.88 16 S ATOM 1967 N MET A 250 27.293 42.41713.097 1.00 31.22 7 N ATOM 1968 CA MET A 250 27.207 41.274 12.205 1.0027.58 6 C ATOM 1969 C MET A 250 27.377 39.909 12.819 1.00 26.29 6 C ATOM1970 O MET A 250 27.430 38.972 11.988 1.00 24.48 8 O ATOM 1971 CB MET A250 28.184 41.525 11.034 1.00 27.22 6 C ATOM 1972 CG MET A 250 27.75342.808 10.312 1.00 31.32 6 C ATOM 1973 SD MET A 250 28.616 43.011 8.7191.00 37.29 16 S ATOM 1974 CE MET A 250 30.115 43.823 9.396 1.00 33.74 6C ATOM 1975 N SER A 251 27.414 39.657 14.101 1.00 24.51 7 N ATOM 1976 CASER A 251 27.528 38.309 14.637 1.00 25.08 6 C ATOM 1977 C SER A 25126.927 38.231 16.062 1.00 25.88 6 C ATOM 1978 O SER A 251 26.712 39.29716.698 1.00 23.60 8 O ATOM 1979 CB SER A 251 28.937 37.787 14.580 1.0024.88 6 C ATOM 1980 OG SER A 251 29.971 38.436 15.303 1.00 27.27 8 OATOM 1981 N LEU A 252 26.642 36.999 16.453 1.00 22.94 7 N ATOM 1982 CALEU A 252 26.198 36.712 17.800 1.00 27.75 6 C ATOM 1983 C LEU A 25227.375 35.915 18.409 1.00 29.48 6 C ATOM 1984 O LEU A 252 27.850 34.99017.703 1.00 30.89 8 O ATOM 1985 CB LEU A 252 24.984 35.803 17.783 1.0027.94 6 C ATOM 1986 CG LEU A 252 23.563 36.254 17.823 1.00 29.02 6 CATOM 1987 CD1 LEU A 252 23.339 37.696 18.234 1.00 23.62 6 C ATOM 1988CD2 LEU A 252 22.690 35.798 16.622 1.00 25.49 6 C ATOM 1989 N ARG A 25327.903 36.171 19.562 1.00 31.90 7 N ATOM 1990 CA ARG A 253 29.031 35.44120.175 1.00 33.27 6 C ATOM 1991 C ARG A 253 28.538 34.811 21.473 1.0034.40 6 C ATOM 1992 O ARG A 253 27.952 35.708 22.162 1.00 35.67 8 O ATOM1993 CB ARG A 253 30.157 36.394 20.479 1.00 33.83 6 C ATOM 1994 CG ARG A253 30.611 37.091 19.222 1.00 38.64 6 C ATOM 1995 CD ARG A 253 31.17338.490 19.258 1.00 44.75 6 C ATOM 1996 NE ARG A 253 30.460 39.685 19.7131.00 42.66 7 N ATOM 1997 CZ ARG A 253 29.616 40.301 18.909 1.00 45.74 6C ATOM 1998 NH1 ARG A 253 29.001 41.388 19.388 1.00 49.52 7 N ATOM 1999NH2 ARG A 253 29.322 39.936 17.651 1.00 43.04 7 N ATOM 2000 N PHE A 25428.723 33.518 21.759 1.00 29.15 7 N ATOM 2001 CA PHE A 254 28.253 32.99223.026 1.00 29.52 6 C ATOM 2002 C PHE A 254 28.800 31.565 23.515 1.0028.81 6 C ATOM 2003 O PHE A 254 29.705 31.352 22.632 1.00 34.77 8 O ATOM2004 CB PHE A 254 26.811 32.764 22.929 1.00 26.68 6 C ATOM 2005 CG PHE A254 26.290 31.847 21.871 1.00 30.72 6 C ATOM 2006 CD1 PHE A 254 26.28030.478 22.007 1.00 30.11 6 C ATOM 2007 CD2 PHE A 254 25.767 32.33620.683 1.00 29.32 6 C ATOM 2008 CE1 PHE A 254 25.783 29.634 21.024 1.0029.34 6 C ATOM 2009 CE2 PHE A 254 25.279 31.528 19.712 1.00 26.03 6 CATOM 2010 CZ PHE A 254 25.286 30.162 19.880 1.00 29.57 6 C TER ATOM 1 O1HOH W 1 28.025 28.390 15.602 1.00 42.31 8 O ATOM 2 O1 HOH W 2 26.26838.572 9.634 1.00 18.83 8 O ATOM 3 O1 HOH W 3 20.131 38.583 4.610 1.0026.79 8 O ATOM 4 O1 HOH W 4 20.970 41.393 4.696 1.00 37.64 8 O ATOM 5 O1HOH W 5 40.024 29.325 14.898 1.00 46.73 8 O ATOM 6 O1 HOH W 6 32.99123.495 17.663 1.00 59.22 8 O ATOM 7 O1 HOH W 7 15.840 43.990 7.507 1.0036.79 8 O ATOM 8 O1 HOH W 8 18.953 39.159 11.374 1.00 31.57 8 O ATOM 9O1 HOH W 9 24.174 38.042 22.193 1.00 28.52 8 O ATOM 10 O1 HOH W 1027.171 35.756 25.175 1.00 43.63 8 O ATOM 11 O1 HOH W 11 14.947 46.6487.221 1.00 73.87 8 O ATOM 12 O1 HOH W 12 9.614 42.318 10.157 1.00 66.398 O ATOM 13 O1 HOH W 13 17.391 30.066 12.079 1.00 22.71 8 O ATOM 14 O1HOH W 14 13.770 30.141 12.628 1.00 47.82 8 O ATOM 15 O1 HOH W 15 10.14034.531 27.487 1.00 48.18 8 O ATOM 16 O1 HOH W 16 10.347 38.810 20.6451.00 61.45 8 O ATOM 17 O1 HOH W 17 4.605 40.349 21.239 1.00 58.90 8 OATOM 18 O1 HOH W 18 24.452 42.317 22.059 1.00 27.18 8 O ATOM 19 O1 HOH W19 27.836 42.629 24.467 1.00 53.13 8 O ATOM 20 O1 HOH W 20 30.376 42.43525.640 1.00 39.14 8 O ATOM 21 O1 HOH W 21 31.636 40.357 28.787 1.0062.00 8 O ATOM 22 O1 HOH W 22 33.311 41.946 25.682 1.00 52.83 8 O ATOM23 O1 HOH W 23 30.668 37.676 29.602 1.00 63.49 8 O ATOM 24 O1 HOH W 2433.351 39.445 31.453 1.00 48.61 8 O ATOM 25 O1 HOH W 25 10.588 51.17719.875 1.00 46.32 8 O ATOM 26 O1 HOH W 26 19.101 43.610 37.923 1.0051.37 8 O ATOM 27 O1 HOH W 27 32.756 48.007 12.395 1.00 51.00 8 O ATOM28 O1 HOH W 28 32.674 49.670 14.196 1.00 47.62 8 O ATOM 29 O1 HOH W 2925.585 41.165 19.391 1.00 52.32 8 O ATOM 30 O1 HOH W 30 26.674 38.23520.849 1.00 29.09 8 O ATOM 31 O1 HOH W 31 26.207 39.346 19.156 1.0059.19 8 O ATOM 32 O1 HOH W 32 30.658 40.368 22.149 1.00 43.78 8 O ATOM33 O1 HOH W 33 39.583 39.129 6.901 1.00 35.61 8 O TER ATOM 1 N PHE B 012.996 16.960 −2.638 1.00 62.36 7 N ATOM 2 CA PHE B 0 13.546 17.179−1.290 1.00 63.39 6 C ATOM 3 C PHE B 0 14.665 18.236 −1.240 1.00 61.73 6C ATOM 4 O PHE B 0 15.236 18.590 −2.265 1.00 63.41 8 O ATOM 5 CB PHE B 014.061 15.949 −0.554 1.00 64.35 6 C ATOM 6 CG PHE B 0 15.522 15.648−0.749 1.00 63.64 6 C ATOM 7 CD1 PHE B 0 16.338 15.502 0.355 1.00 64.106 C ATOM 8 CD2 PHE B 0 16.018 15.319 −2.002 1.00 62.56 6 C ATOM 9 CE1PHE B 0 17.700 15.317 0.177 1.00 62.88 6 C ATOM 10 CE2 PHE B 0 17.33114.900 −2.130 1.00 62.77 6 C ATOM 11 CZ PHE B 0 18.168 14.884 −1.0411.00 62.32 6 C ATOM 12 N MET B 1 14.915 18.774 −0.050 1.00 58.21 7 NATOM 13 CA MET B 1 15.923 19.807 0.060 1.00 53.82 6 C ATOM 14 C MET B 116.955 19.497 1.120 1.00 49.19 6 C ATOM 15 O MET B 1 16.766 18.589 1.8941.00 50.18 8 O ATOM 16 CB MET B 1 15.373 21.155 0.509 1.00 57.09 6 CATOM 17 CG MET B 1 14.751 21.937 −0.600 1.00 63.61 6 C ATOM 18 SD MET B1 14.400 23.643 −0.179 1.00 72.31 16 S ATOM 19 CE MET B 1 15.756 24.598−0.919 1.00 69.90 6 C ATOM 20 N PHE B 2 18.006 20.302 1.053 1.00 43.18 7N ATOM 21 CA PHE B 2 19.026 20.155 2.103 1.00 35.60 6 C ATOM 22 C PHE B2 18.763 21.471 2.803 1.00 34.55 6 C ATOM 23 O PHE B 2 18.326 22.4672.111 1.00 31.59 8 O ATOM 24 CB PHE B 2 20.336 19.940 1.468 1.00 34.55 6C ATOM 25 CG PHE B 2 20.847 18.638 0.935 1.00 29.77 6 C ATOM 26 CD1 PHEB 2 21.561 18.581 −0.262 1.00 28.21 6 C ATOM 27 CD2 PHE B 2 20.61717.477 1.627 1.00 29.31 6 C ATOM 28 CE1 PHE B 2 22.019 17.407 −0.7291.00 25.86 6 C ATOM 29 CE2 PHE B 2 21.091 16.217 1.148 1.00 27.63 6 CATOM 30 CZ PHE B 2 21.789 16.218 −0.031 1.00 26.07 6 C ATOM 31 N LYS B 318.984 21.498 4.077 1.00 32.99 7 N ATOM 32 CA LYS B 3 18.756 22.7864.816 1.00 32.24 6 C ATOM 33 C LYS B 3 20.081 23.176 5.453 1.00 33.54 6C ATOM 34 O LYS B 3 20.434 24.260 5.813 1.00 31.06 8 O ATOM 35 CB LYS B3 17.585 22.551 5.846 1.00 31.16 6 C ATOM 36 CG LYS B 3 16.267 22.5755.438 0.00 25.00 6 C ATOM 37 CD LYS B 3 15.355 22.145 6.572 0.00 25.00 6C ATOM 38 CE LYS B 3 14.059 22.931 6.568 0.00 25.00 6 C ATOM 39 NZ LYS B3 13.024 22.289 7.424 0.00 25.00 7 N ATOM 40 N HIS B 4 21.011 22.2165.713 1.00 34.25 7 N ATOM 41 CA HIS B 4 22.260 22.284 6.352 1.00 29.94 6C ATOM 42 C HIS B 4 23.478 21.656 5.713 1.00 30.78 6 C ATOM 43 O HIS B 423.434 20.581 5.088 1.00 27.94 8 O ATOM 44 CB HIS B 4 22.264 21.4997.730 1.00 33.44 6 C ATOM 45 CG HIS B 4 21.119 22.071 8.529 1.00 36.16 6C ATOM 46 ND1 HIS B 4 21.193 23.432 8.869 1.00 37.08 7 N ATOM 47 CD2 HISB 4 19.963 21.545 9.015 1.00 34.53 6 C ATOM 48 CE1 HIS B 4 20.111 23.7139.544 1.00 37.92 6 C ATOM 49 NE2 HIS B 4 19.353 22.585 9.643 1.00 37.247 N ATOM 50 N ILE B 5 24.590 22.333 6.051 1.00 30.46 7 N ATOM 51 CA ILEB 5 25.930 21.943 5.677 1.00 30.39 6 C ATOM 52 C ILE B 5 26.889 22.0776.833 1.00 29.55 6 C ATOM 53 O ILE B 5 26.819 23.051 7.619 1.00 30.51 8O ATOM 54 CB ILE B 5 26.349 22.790 4.436 1.00 32.00 6 C ATOM 55 CG1 ILEB 5 25.864 21.889 3.272 1.00 33.25 6 C ATOM 56 CG2 ILE B 5 27.841 22.9904.361 1.00 31.19 6 C ATOM 57 CD1 ILE B 5 25.790 22.533 1.974 1.00 35.696 C ATOM 58 N ILE B 6 27.793 21.132 7.008 1.00 26.73 7 N ATOM 59 CA ILEB 6 28.814 21.101 8.020 1.00 22.50 6 C ATOM 60 C ILE B 6 30.118 21.0687.263 1.00 21.02 6 C ATOM 61 O ILE B 6 30.258 20.301 6.305 1.00 21.94 8O ATOM 62 CB ILE B 6 28.688 19.921 9.004 1.00 24.98 6 C ATOM 63 CG1 ILEB 6 27.421 20.098 9.871 1.00 22.79 6 C ATOM 64 CG2 ILE B 6 29.910 19.6679.911 1.00 22.85 6 C ATOM 65 CD1 ILE B 6 27.160 18.742 10.628 1.00 23.586 C ATOM 66 N ALA B 7 31.106 21.888 7.569 1.00 18.11 7 N ATOM 67 CA ALAB 7 32.379 21.825 6.823 1.00 15.72 6 C ATOM 68 C ALA B 7 33.442 22.1577.848 1.00 19.04 6 C ATOM 69 O ALA B 7 32.987 22.511 8.965 1.00 18.48 8O ATOM 70 CB ALA B 7 32.304 22.763 5.676 1.00 19.74 6 C ATOM 71 N ARG B8 34.717 22.053 7.547 1.00 21.91 7 N ATOM 72 CA ARG B 8 35.748 22.3858.589 1.00 21.90 6 C ATOM 73 C ARG B 8 36.903 23.048 7.916 1.00 20.32 6C ATOM 74 O ARG B 8 37.233 22.541 6.824 1.00 17.80 8 O ATOM 75 CB ARG B8 36.231 21.073 9.249 1.00 20.23 6 C ATOM 76 CG ARG B 8 37.201 21.38010.378 1.00 21.10 6 C ATOM 77 CD ARG B 8 37.855 20.114 11.038 1.00 22.396 C ATOM 78 NE ARG B 8 36.871 19.288 11.726 1.00 23.51 7 N ATOM 79 CZARG B 8 36.424 19.663 12.928 1.00 24.23 6 C ATOM 80 NH1 ARG B 8 36.85020.781 13.528 1.00 27.58 7 N ATOM 81 NH2 ARG B 8 35.560 18.915 13.5101.00 22.42 7 N ATOM 82 N THR B 9 37.497 24.103 8.447 1.00 21.98 7 N ATOM83 CA THR B 9 38.616 24.762 7.679 1.00 24.00 6 C ATOM 84 C THR B 939.793 23.826 7.611 1.00 25.11 6 C ATOM 85 O THR B 9 39.865 23.080 8.6151.00 26.77 8 O ATOM 86 CB THR B 9 38.941 25.983 8.592 1.00 24.67 6 CATOM 87 OG1 THR B 9 37.682 26.731 8.797 1.00 25.37 8 O ATOM 88 CG2 THR B9 39.916 26.905 7.973 1.00 23.69 6 C ATOM 89 N PRO B 10 40.584 23.7876.555 1.00 26.38 7 N ATOM 90 CA PRO B 10 41.760 22.907 6.541 1.00 25.506 C ATOM 91 C PRO B 10 42.784 23.351 7.535 1.00 29.11 6 C ATOM 92 O PROB 10 42.927 24.594 7.689 1.00 34.74 8 O ATOM 93 CB PRO B 10 42.48523.278 5.215 1.00 21.19 6 C ATOM 94 CG PRO B 10 41.596 24.155 4.451 1.0017.14 6 C ATOM 95 CD PRO B 10 40.511 24.713 5.346 1.00 20.58 6 C ATOM 96N ALA B 11 43.580 22.501 8.131 1.00 32.94 7 N ATOM 97 CA ALA B 11 44.70722.780 9.025 1.00 31.80 6 C ATOM 98 C ALA B 11 45.952 22.992 8.192 1.0034.51 6 C ATOM 99 O ALA B 11 46.080 22.628 7.021 1.00 31.91 8 O ATOM 100CB ALA B 11 45.135 21.478 9.751 1.00 34.92 6 C ATOM 101 N ARG B 1246.983 23.566 8.857 1.00 40.72 7 N ATOM 102 CA ARG B 12 48.262 23.7668.193 1.00 41.31 6 C ATOM 103 C ARG B 12 48.844 22.358 7.966 1.00 40.016 C ATOM 104 O ARG B 12 49.497 22.184 6.947 1.00 35.70 8 O ATOM 105 CBARG B 12 49.193 24.645 9.007 1.00 44.40 6 C ATOM 106 CG ARG B 12 48.53125.991 9.264 1.00 52.43 6 C ATOM 107 CD ARG B 12 49.536 27.192 9.7010.00 25.00 6 C ATOM 108 NE ARG B 12 49.016 28.553 9.647 0.00 25.00 7 NATOM 109 CZ ARG B 12 49.478 29.496 8.838 0.00 25.00 6 C ATOM 110 NH1 ARGB 12 50.491 29.233 8.027 0.00 25.00 7 N ATOM 111 NH2 ARG B 12 48.92230.699 8.841 0.00 25.00 7 N ATOM 112 N SER B 13 48.529 21.397 8.841 1.0038.57 7 N ATOM 113 CA SER B 13 49.038 20.064 8.729 1.00 38.85 6 C ATOM114 C SER B 13 48.586 19.299 7.528 1.00 43.88 6 C ATOM 115 O SER B 1349.137 18.276 7.047 1.00 46.47 8 O ATOM 116 CB SER B 13 48.895 19.33110.015 1.00 39.71 6 C ATOM 117 OG SER B 13 47.663 19.228 10.659 1.0042.09 8 O ATOM 118 N LEU B 14 47.600 19.789 6.820 1.00 46.15 7 N ATOM119 CA LEU B 14 47.105 19.313 5.570 1.00 50.77 6 C ATOM 120 C LEU B 1448.342 19.024 4.726 1.00 54.56 6 C ATOM 121 O LEU B 14 48.478 17.9764.128 1.00 57.78 8 O ATOM 122 CB LEU B 14 46.510 20.467 4.729 1.00 52.166 C ATOM 123 CG LEU B 14 45.170 20.293 4.055 1.00 53.42 6 C ATOM 124 CDILEU B 14 45.221 20.769 2.611 1.00 52.91 6 C ATOM 125 CD2 LEU B 14 44.68118.864 4.143 1.00 52.28 6 C ATOM 126 N VAL B 15 49.191 20.032 4.575 1.0059.93 7 N ATOM 127 CA VAL B 15 50.410 19.890 3.827 1.00 66.21 6 C ATOM128 C VAL B 15 51.163 18.764 4.513 1.00 69.45 6 C ATOM 129 O VAL B 1551.792 19.169 5.485 1.00 68.94 8 O ATOM 130 CB VAL B 15 51.391 21.0803.867 1.00 67.73 6 C ATOM 131 CG1 VAL B 15 52.751 20.619 3.325 1.0069.54 6 C ATOM 132 CG2 VAL B 15 50.799 22.209 3.039 1.00 66.01 6 C ATOM133 N ASP B 16 51.021 17.538 4.004 1.00 74.17 7 N ATOM 134 CA ASP B 1651.733 16.448 4.600 1.00 76.62 6 C ATOM 135 C ASP B 16 51.165 15.0404.436 1.00 79.32 6 C ATOM 136 O ASP B 16 50.138 14.714 3.868 1.00 82.558 O ATOM 137 CB ASP B 16 52.039 16.495 6.097 1.00 76.64 6 C ATOM 138 CGASP B 16 53.393 17.152 6.330 1.00 78.67 6 C ATOM 139 OD1 ASP B 16 54.17317.028 5.351 1.00 79.90 8 O ATOM 140 OD2 ASP B 16 53.418 17.693 7.4731.00 78.69 8 O ATOM 141 N GLY B 17 52.029 14.254 5.071 1.00 78.62 7 NATOM 142 CA GLY B 17 52.032 12.812 5.134 1.00 78.49 6 C ATOM 143 C GLY B17 53.511 12.667 4.673 1.00 78.29 6 C ATOM 144 O GLY B 17 54.044 13.5443.973 1.00 78.69 8 O ATOM 145 N LEU B 18 54.110 11.545 5.065 1.00 76.767 N ATOM 146 CA LEU B 18 55.507 11.329 4.708 1.00 73.67 6 C ATOM 147 CLEU B 18 55.650 10.934 3.263 1.00 73.42 6 C ATOM 148 O LEU B 18 56.73410.884 2.676 1.00 75.40 8 O ATOM 149 CB LEU B 18 56.036 10.166 5.5511.00 71.65 6 C ATOM 150 CG LEU B 18 56.362 10.550 6.997 1.00 70.44 6 CATOM 151 CD1 LEU B 18 55.219 11.267 7.696 1.00 70.33 6 C ATOM 152 CD2LEU B 18 56.764 9.332 7.808 1.00 68.67 6 C ATOM 153 N THR B 19 54.49710.557 2.741 1.00 72.30 7 N ATOM 154 CA THR B 19 54.556 10.075 1.3571.00 74.10 6 C ATOM 155 C THR B 19 53.556 10.855 0.516 1.00 75.60 6 CATOM 156 O THR B 19 52.456 11.174 0.965 1.00 78.14 8 O ATOM 157 CB THR B19 54.178 8.596 1.449 1.00 71.63 6 C ATOM 158 OG1 THR B 19 52.866 8.7142.070 1.00 71.21 8 O ATOM 159 CG2 THR B 19 55.122 7.698 2.228 1.00 70.766 C ATOM 160 N SER B 20 53.992 11.144 −0.700 1.00 75.63 7 N ATOM 161 CASER B 20 53.162 11.897 −1.622 1.00 77.65 6 C ATOM 162 C SER B 20 52.87211.134 −2.925 1.00 77.69 6 C ATOM 163 O SER B 20 53.566 10.189 −3.2951.00 78.40 8 O ATOM 164 CB SER B 20 53.783 13.263 −1.965 1.00 78.23 6 CATOM 165 OG SER B 20 55.140 12.783 −2.575 0.00 25.00 8 O ATOM 166 N SERB 21 51.792 11.575 −3.582 1.00 76.63 7 N ATOM 167 CA SER B 21 51.32610.965 −4.826 1.00 75.04 6 C ATOM 168 C SER B 21 51.763 11.858 −5.9521.00 72.68 6 C ATOM 169 O SER B 21 51.551 13.068 −5.870 1.00 77.30 8 OATOM 170 CB SER B 21 49.798 10.820 −4.858 1.00 74.64 6 C ATOM 171 OG SERB 21 49.298 12.134 −4.628 1.00 77.06 8 O ATOM 172 N HIS B 22 52.34411.434 −7.018 1.00 67.97 7 N ATOM 173 CA HIS B 22 52.785 12.194 −8.1351.00 64.63 6 C ATOM 174 C HIS B 22 52.143 13.513 −8.403 1.00 63.58 6 CATOM 175 O HIS B 22 52.748 14.263 −9.191 1.00 67.38 8 O ATOM 176 CB HISB 22 52.658 11.304 −9.387 1.00 65.37 6 C ATOM 177 CG HIS B 22 53.61610.134 −9.252 0.00 25.00 6 C ATOM 178 ND1 HIS B 22 54.989 10.121 −9.1100.00 25.00 6 N ATOM 179 CD2 HIS B 22 53.220 8.843 −9.221 0.00 25.00 6 CATOM 180 CE1 HIS B 22 55.403 8.870 −9.000 0.00 25.00 6 C ATOM 181 NE2HIS B 22 54.349 8.075 −9.067 0.00 25.00 7 N ATOM 182 N LEU B 23 51.02513.942 −7.883 1.00 62.50 7 N ATOM 183 CA LEU B 23 50.398 15.232 −8.0391.00 63.22 6 C ATOM 184 C LEU B 23 51.204 16.276 −7.253 1.00 62.01 6 CATOM 185 O LEU B 23 51.218 17.448 −7.531 1.00 61.98 8 O ATOM 186 CB LEUB 23 48.990 15.184 −7.485 1.00 62.42 6 C ATOM 187 CG LEU B 23 48.03814.287 −8.314 1.00 63.66 6 C ATOM 188 CD1 LEU B 23 46.699 14.254 −7.5941.00 64.12 6 C ATOM 189 CD2 LEU B 23 47.905 14.806 −9.737 1.00 64.69 6 CATOM 190 N GLY B 24 51.904 15.749 −6.256 1.00 61.33 7 N ATOM 191 CA GLYB 24 52.789 16.532 −5.458 1.00 61.50 6 C ATOM 192 C GLY B 24 51.83617.037 −4.385 1.00 62.42 6 C ATOM 193 O GLY B 24 50.654 16.747 −4.4481.00 64.98 8 O ATOM 194 N LYS B 25 52.448 17.821 −3.554 1.00 62.18 7 NATOM 195 CA LYS B 25 51.823 18.407 −2.433 1.00 60.21 6 C ATOM 196 C LYSB 25 51.063 19.725 −2.485 1.00 54.10 6 C ATOM 197 O LYS B 25 51.27920.654 −3.223 1.00 53.62 8 O ATOM 198 CB LYS B 25 52.834 18.656 −1.2771.00 65.47 6 C ATOM 199 CG LYS B 25 53.559 17.365 −0.966 1.00 72.86 6 CATOM 200 CD LYS B 25 54.556 17.496 0.178 1.00 77.18 6 C ATOM 201 CE LYSB 25 55.275 16.178 0.400 1.00 83.60 6 C ATOM 202 NZ LYS B 25 56.21916.116 1.558 1.00 86.25 7 N ATOM 203 N PRO B 26 50.103 19.717 −1.5441.00 46.97 7 N ATOM 204 CA PRO B 26 49.186 20.786 −1.325 1.00 43.27 6 CATOM 205 C PRO B 26 49.763 22.103 −0.792 1.00 38.14 6 C ATOM 206 O PRO B26 50.372 21.965 0.262 1.00 35.26 8 O ATOM 207 CB PRO B 26 48.324 20.296−0.126 1.00 42.06 6 C ATOM 208 CG PRO B 26 48.486 18.830 −0.109 1.0044.29 6 C ATOM 209 CD PRO B 26 49.857 18.556 −0.637 1.00 45.04 6 C ATOM210 N ASP B 27 49.564 23.172 −1.497 1.00 34.44 7 N ATOM 211 CA ASP B 2750.018 24.454 −0.983 1.00 36.61 6 C ATOM 212 C ASP B 27 48.934 24.8480.014 1.00 38.42 6 C ATOM 213 O ASP B 27 47.732 25.096 −0.314 1.00 40.938 O ATOM 214 CB ASP B 27 50.079 25.392 −2.145 1.00 37.37 6 C ATOM 215 CGASP B 27 50.062 26.902 −1.988 1.00 41.23 6 C ATOM 216 OD1 ASP B 2750.216 27.362 −0.819 1.00 37.92 8 O ATOM 217 OD2 ASP B 27 49.893 27.585−3.085 1.00 40.68 8 O ATOM 218 N TYR B 28 49.194 24.977 1.279 1.00 38.867 N ATOM 219 CA TYR B 28 48.244 25.378 2.270 1.00 39.16 6 C ATOM 220 CTYR B 28 47.542 26.646 1.804 1.00 39.02 6 C ATOM 221 O TYR B 28 46.32226.722 1.763 1.00 40.07 8 O ATOM 222 CB TYR B 28 48.952 25.717 3.5771.00 38.50 6 C ATOM 223 CG TYR B 28 48.012 26.120 4.655 1.00 42.85 6 CATOM 224 CD1 TYR B 28 46.929 25.286 4.953 1.00 43.17 6 C ATOM 225 CD2TYR B 28 48.158 27.299 5.394 1.00 44.23 6 C ATOM 226 CE1 TYR B 28 46.05925.667 5.963 1.00 45.91 6 C ATOM 227 CE2 TYR B 28 47.264 27.639 6.3961.00 45.36 6 C ATOM 228 CZ TYR B 28 46.212 26.819 6.679 1.00 45.35 6 CATOM 229 OH TYR B 28 45.301 27.134 7.672 1.00 51.11 8 O ATOM 230 N ALA B29 48.233 27.695 1.451 1.00 38.57 7 N ATOM 231 CA ALA B 29 47.634 28.9551.071 1.00 36.27 6 C ATOM 232 C ALA B 29 46.694 28.710 −0.055 1.00 36.456 C ATOM 233 O ALA B 29 45.593 29.222 0.086 1.00 40.46 8 O ATOM 234 CBALA B 29 48.545 30.130 0.750 1.00 32.06 6 C ATOM 235 N LYS B 30 46.96228.011 −1.124 1.00 37.09 7 N ATOM 236 CA LYS B 30 45.904 27.930 −2.1881.00 34.84 6 C ATOM 237 C LYS B 30 44.746 27.100 −1.644 1.00 35.26 6 CATOM 238 O LYS B 30 43.579 27.286 −1.872 1.00 34.93 8 O ATOM 239 CB LYSB 30 46.573 27.382 −3.398 1.00 32.95 6 C ATOM 240 CG LYS B 30 45.87427.490 −4.712 1.00 37.29 6 C ATOM 241 CD LYS B 30 46.565 26.521 −5.7131.00 35.24 6 C ATOM 242 CE LYS B 30 46.445 26.917 −7.069 0.00 25.00 6 CATOM 243 NZ LYS B 30 46.975 25.760 −7.896 0.00 25.00 7 N ATOM 244 N ALAB 31 45.048 26.085 −0.821 1.00 32.73 7 N ATOM 245 CA ALA B 31 44.06025.210 −0.244 1.00 32.49 6 C ATOM 246 C ALA B 31 43.086 26.066 0.5671.00 32.89 6 C ATOM 247 O ALA B 31 41.854 25.835 0.508 1.00 31.92 8 OATOM 248 CB ALA B 31 44.597 24.082 0.649 1.00 26.79 6 C ATOM 249 N LEU B32 43.685 26.998 1.311 1.00 34.13 7 N ATOM 250 CA LEU B 32 42.811 27.8652.169 1.00 34.01 6 C ATOM 251 C LEU B 32 41.851 28.640 1.281 1.00 30.206 C ATOM 252 O LEU B 32 40.688 28.816 1.592 1.00 29.48 8 O ATOM 253 CBLEU B 32 43.662 28.839 2.992 1.00 34.11 6 C ATOM 254 CG LEU B 32 43.04129.042 4.386 1.00 34.32 6 C ATOM 255 CD1 LEU B 32 43.313 27.811 5.1861.00 33.82 6 C ATOM 256 CD2 LEU B 32 43.532 30.261 5.094 1.00 33.98 6 CATOM 257 N GLU B 33 42.238 29.149 0.143 1.00 28.05 7 N ATOM 258 CA GLU B33 41.452 29.884 −0.783 1.00 26.37 6 C ATOM 259 C GLU B 33 40.455 28.979−1.519 1.00 27.62 6 C ATOM 260 O GLU B 33 39.300 29.369 −1.820 1.0026.94 8 O ATOM 261 CB GLU B 33 42.378 30.567 −1.748 1.00 28.61 6 C ATOM262 CG GLU B 33 43.210 31.691 −1.285 1.00 34.19 6 C ATOM 263 CD GLU B 3342.577 32.829 −0.527 1.00 38.16 6 C ATOM 264 OE1 GLU B 33 41.719 33.594−1.006 1.00 40.69 8 O ATOM 265 OE2 GLU B 33 42.878 33.093 0.659 1.0039.45 8 O ATOM 266 N GLN B 34 40.859 27.698 −1.817 1.00 24.90 7 N ATOM267 CA GLN B 34 39.942 26.838 −2.507 1.00 24.09 6 C ATOM 268 C GLN B 3438.761 26.567 −1.588 1.00 23.49 6 C ATOM 269 O GLN B 34 37.572 26.649−1.838 1.00 21.28 8 O ATOM 270 CB GLN B 34 40.662 25.653 −3.128 1.0027.12 6 C ATOM 271 CG GLN B 34 41.704 26.043 −4.134 1.00 29.89 6 C ATOM272 CD GLN B 34 42.307 24.869 −4.861 1.00 31.87 6 C ATOM 273 OE1 GLN B34 42.407 23.832 −4.173 1.00 34.54 8 O ATOM 274 NE2 GLN B 34 42.63925.096 −6.113 1.00 28.43 7 N ATOM 275 N HIS B 35 39.062 26.304 −0.3031.00 26.75 7 N ATOM 276 CA HIS B 35 38.088 26.088 0.714 1.00 23.52 6 CATOM 277 C HIS B 35 37.131 27.284 0.851 1.00 25.05 6 C ATOM 278 O HIS B35 35.909 27.010 1.036 1.00 26.89 8 O ATOM 279 CB HIS B 35 38.684 25.6982.063 1.00 18.08 6 C ATOM 280 CG HIS B 35 37.626 25.072 2.982 1.00 17.666 C ATOM 281 ND1 HIS B 35 37.268 23.719 2.888 1.00 18.75 7 N ATOM 282CD2 HIS B 35 36.868 25.546 3.976 1.00 15.01 6 C ATOM 283 CE1 HIS B 3536.318 23.419 3.824 1.00 13.30 6 C ATOM 284 NE2 HIS B 35 36.060 24.5174.493 1.00 15.39 7 N ATOM 285 N ASN B 36 37.635 28.486 0.885 1.00 21.097 N ATOM 286 CA ASN B 36 36.751 29.628 1.076 1.00 23.45 6 C ATOM 287 CASN B 36 35.867 29.773 −0.116 1.00 24.18 6 C ATOM 288 O ASN B 36 34.66430.039 −0.013 1.00 24.11 8 O ATOM 289 CB ASN B 36 37.499 30.938 1.3531.00 27.50 6 C ATOM 290 CG ASN B 36 36.683 32.178 1.309 1.00 29.07 6 CATOM 291 OD1 ASN B 36 36.009 32.472 2.323 1.00 34.53 8 O ATOM 292 ND2ASN B 36 36.595 33.011 0.283 1.00 27.04 7 N ATOM 293 N ALA B 37 36.31629.537 −1.316 1.00 27.18 7 N ATOM 294 CA ALA B 37 35.568 29.585 −2.5711.00 27.32 6 C ATOM 295 C ALA B 37 34.518 28.493 −2.530 1.00 26.59 6 CATOM 296 O ALA B 37 33.395 28.688 −3.018 1.00 30.22 8 O ATOM 297 CB ALAB 37 36.388 29.455 −3.825 1.00 20.13 6 C ATOM 298 N TYR B 38 34.85227.445 −1.801 1.00 25.56 7 N ATOM 299 CA TYR B 38 33.871 26.313 −1.6791.00 23.33 6 C ATOM 300 C TYR B 38 32.704 26.760 −0.825 1.00 24.73 6 CATOM 301 O TYR B 38 31.548 26.437 −1.118 1.00 23.97 8 O ATOM 302 CB TYRB 38 34.571 25.103 −1.141 1.00 17.31 6 C ATOM 303 CG TYR B 38 33.79223.847 −0.847 1.00 21.19 6 C ATOM 304 CD1 TYR B 38 33.289 23.035 −1.8551.00 21.93 6 C ATOM 305 CD2 TYR B 38 33.527 23.427 0.458 1.00 19.92 6 CATOM 306 CE1 TYR B 38 32.581 21.896 −1.573 1.00 22.41 6 C ATOM 307 CE2TYR B 38 32.815 22.278 0.727 1.00 21.98 6 C ATOM 308 CZ TYR B 38 32.33521.498 −0.290 1.00 22.40 6 C ATOM 309 OH TYR B 38 31.592 20.292 −0.0691.00 21.43 8 O ATOM 310 N ILE B 39 33.050 27.397 0.304 1.00 24.72 7 NATOM 311 CA ILE B 39 32.138 27.925 1.286 1.00 23.52 6 C ATOM 312 C ILE B39 31.266 28.981 0.595 1.00 26.65 6 C ATOM 313 O ILE B 39 30.026 28.8560.735 1.00 27.47 8 O ATOM 314 CB ILE B 39 32.922 28.347 2.532 1.00 20.426 C ATOM 315 CG1 ILE B 39 33.613 27.228 3.331 1.00 17.66 6 C ATOM 316CG2 ILE B 39 31.769 28.908 3.423 1.00 23.85 6 C ATOM 317 CD1 ILE B 3932.595 26.011 3.566 1.00 16.59 6 C ATOM 318 N ARG B 40 31.778 29.934−0.174 1.00 26.25 7 N ATOM 319 CA ARG B 40 31.010 30.931 −0.911 1.0024.76 6 C ATOM 320 C ARG B 40 30.089 30.285 −1.923 1.00 28.77 6 C ATOM321 O ARG B 40 28.980 30.846 −2.107 1.00 34.37 8 O ATOM 322 CB ARG B 4031.855 32.024 −1.708 1.00 17.72 6 C ATOM 323 CG ARG B 40 32.617 32.667−0.480 1.00 21.82 6 C ATOM 324 CD ARG B 40 33.629 33.686 −0.930 1.0023.74 6 C ATOM 325 NE ARG B 40 32.934 34.900 −1.321 1.00 31.35 7 N ATOM326 CZ ARG B 40 33.182 36.098 −1.810 1.00 34.06 6 C ATOM 327 NH1 ARG B40 34.423 36.461 −2.106 1.00 39.39 7 N ATOM 328 NH2 ARG B 40 32.25737.035 −2.057 1.00 33.60 7 N ATOM 329 N ALA B 41 30.350 29.200 −2.5841.00 26.58 7 N ATOM 330 CA ALA B 41 29.392 28.617 −3.528 1.00 24.86 6 CATOM 331 C ALA B 41 28.308 27.984 −2.681 1.00 27.27 6 C ATOM 332 O ALA B41 27.114 28.088 −2.981 1.00 32.34 8 O ATOM 333 CB ALA B 41 30.07127.474 −4.325 1.092 5.32 6 C ATOM 334 N LEU B 42 28.656 27.274 −1.5821.00 25.24 7 N ATOM 335 CA LEU B 42 27.567 26.670 −0.810 1.00 26.25 6 CATOM 336 C LEU B 42 26.752 27.807 −0.191 1.00 29.52 6 C ATOM 337 O LEU B42 25.579 27.590 −0.033 1.00 32.32 8 O ATOM 338 CB LEU B 42 27.99125.726 0.273 1.00 23.81 6 C ATOM 339 CG LEU B 42 28.574 24.392 −0.1641.00 22.39 6 C ATOM 340 CD1 LEU B 42 29.548 23.891 0.944 1.00 14.74 6 CATOM 341 CD2 LEU B 42 27.467 23.397 −0.406 1.00 20.59 6 C ATOM 342 N GLNB 43 27.182 29.013 0.148 1.00 31.16 7 N ATOM 343 CA GLN B 43 26.39730.118 0.645 1.00 31.34 6 C ATOM 344 C GLN B 43 25.320 30.551 −0.3421.00 33.64 6 C ATOM 345 O GLN B 43 24.364 31.268 −0.020 1.00 36.49 8 OATOM 346 CB GLN B 43 27.225 31.400 0.841 1.00 26.40 6 C ATOM 347 CG GLNB 43 27.987 31.421 2.105 1.00 29.57 6 C ATOM 348 CD GLN B 43 28.90832.609 2.299 1.00 29.10 6 C ATOM 349 OE1 GLN B 43 28.535 33.674 2.7191.00 33.22 8 O ATOM 350 NE2 GLN B 43 30.150 32.508 2.014 1.00 29.22 7 NATOM 351 N THR B 44 25.398 30.207 −1.577 1.00 34.28 7 N ATOM 352 CA THRB 44 24.486 30.460 −2.685 1.00 36.60 6 C ATOM 353 C THR B 44 23.46529.345 −2.765 1.00 36.65 6 C ATOM 354 O THR B 44 22.462 29.524 −3.4541.00 39.15 8 O ATOM 355 CB THR B 44 25.459 30.490 −3.907 1.00 39.04 6 CATOM 356 OG1 THR B 44 26.081 31.812 −4.038 1.00 38.48 8 O ATOM 357 CG2THR B 44 24.846 29.983 −5.142 1.00 38.73 6 C ATOM 358 N CYS B 45 23.58028.219 −2.032 1.00 32.93 7 N ATOM 359 CA CYS B 45 22.606 27.148 −2.1511.00 33.58 6 C ATOM 360 C CYS B 45 21.429 27.050 −1.205 1.00 36.10 6 CATOM 361 O CYS B 45 20.842 25.950 −1.078 1.00 37.61 8 O ATOM 362 CB CYSB 45 23.361 25.802 −2.130 1.00 29.46 6 C ATOM 363 SG CYS B 45 24.62525.839 −3.456 1.00 27.64 16 S ATOM 364 N ASP B 46 20.942 28.115 −0.5641.00 34.51 7 N ATOM 365 CA ASP B 46 19.812 28.030 0.318 1.00 34.93 6 CATOM 366 C ASP B 46 19.946 26.997 1.411 1.00 33.58 6 C ATOM 367 O ASP B46 19.068 26.137 1.668 1.00 30.36 8 O ATOM 368 CB ASP B 46 18.490 27.782−0.412 1.00 41.76 6 C ATOM 369 CG ASP B 46 18.131 28.914 −1.336 1.0052.48 6 C ATOM 370 OD1 ASP B 46 17.622 30.020 −0.955 1.00 57.16 8 O ATOM371 OD2 ASP B 46 18.323 28.834 −2.590 1.00 57.97 8 O ATOM 372 N VAL B 4721.058 27.087 2.117 1.00 32.40 7 N ATOM 373 CA VAL B 47 21.353 26.1823.229 1.00 29.14 6 C ATOM 374 C VAL B 47 22.062 26.936 4.292 1.00 27.976 G ATOM 375 O VAL B 47 22.712 27.944 3.936 1.00 30.56 8 O ATOM 376 CBVAL B 47 22.282 25.237 2.421 1.00 31.81 6 C ATOM 377 CG1 VAL B 47 23.75225.408 2.700 1.00 28.39 6 C ATOM 378 CG2 VAL B 47 21.819 23.806 2.5211.00 32.58 6 C ATOM 379 N ASP B 48 22.082 26.610 5.570 1.00 27.43 7 NATOM 380 CA ASP B 48 22.949 27.307 6.467 1.00 28.98 6 C ATOM 381 C ASP B48 24.229 26.461 6.527 1.00 26.95 6 C ATOM 382 O ASP B 48 24.242 25.3156.120 1.00 25.91 8 O ATOM 383 CB ASP B 48 22.355 27.693 7.785 1.00 36.836 C ATOM 384 CG ASP B 48 21.761 26.496 8.437 1.00 40.09 6 C ATOM 385 OD1ASP B 48 22.460 25.465 8.310 1.00 41.77 8 O ATOM 386 OD2 ASP B 48 20.67926.765 8.975 1.00 43.39 8 O ATOM 387 N ILE B 49 25.356 26.998 6.922 1.0025.50 7 N ATOM 388 CA ILE B 49 26.617 26.370 7.024 1.00 26.25 6 C ATOM389 C ILE B 49 27.211 26.290 8.428 1.00 29.61 6 C ATOM 390 O ILE B 4927.399 27.368 9.031 1.00 33.54 8 O ATOM 391 CB ILE B 49 27.515 27.2716.155 1.00 28.15 6 C ATOM 392 CG1 ILE B 49 27.180 27.048 4.655 1.0026.64 6 C ATOM 393 CG2 ILE B 49 29.013 26.939 6.341 1.00 29.92 6 C ATOM394 CD1 ILE B 49 27.758 28.238 3.847 1.00 24.01 6 C ATOM 395 N THR B 5027.536 25.067 8.922 1.00 27.22 7 N ATOM 396 CA THR B 50 28.192 25.11010.237 1.00 24.36 6 C ATOM 397 C THR B 50 29.654 24.951 9.864 1.00 26.406 C ATOM 398 O THR B 50 29.987 23.808 9.510 1.00 28.23 8 O ATOM 399 CBTHR B 50 27.636 23.979 11.081 1.00 25.29 6 C ATOM 400 OG1 THR B 5026.242 24.305 11.215 1.00 20.14 8 O ATOM 401 CG2 THR B 50 28.382 23.73512.402 1.00 23.12 6 C ATOM 402 N LEU B 51 30.464 26.025 9.937 1.00 23.357 N ATOM 403 CA LEU B 51 31.879 25.866 9.591 1.00 21.01 6 C ATOM 404 CLEU B 51 32.720 25.635 10.833 1.00 23.77 6 C ATOM 405 O LEU B 51 32.77226.538 11.661 1.00 26.42 8 O ATOM 406 CB LEU B 51 32.183 27.181 8.8701.00 15.86 6 C ATOM 407 CG LEU B 51 33.604 27.500 8.523 1.00 19.48 6 CATOM 408 CD1 LEU B 51 34.266 26.279 7.879 1.00 21.83 6 C ATOM 409 CD2LEU B 51 33.781 28.745 7.606 1.00 15.47 6 C ATOM 410 N LEU B 52 33.40924.502 11.022 1.00 23.52 7 N ATOM 411 CA LEU B 52 34.222 24.247 12.2251.00 20.46 6 C ATOM 412 C LEU B 52 35.681 24.624 12.050 1.00 19.76 6 CATOM 413 O LEU B 52 36.148 24.765 10.907 1.00 19.49 8 O ATOM 414 CB LEUB 52 34.094 22.749 12.464 1.00 20.38 6 C ATOM 415 CG LEU B 52 32.70822.210 12.478 1.00 22.77 6 C ATOM 416 CD1 LEU B 52 32.665 20.671 12.6991.00 22.76 6 C ATOM 417 CD2 LEU B 52 32.125 22.835 13.789 1.00 25.84 6 CATOM 418 N PRO B 53 36.412 24.806 13.145 1.00 19.46 7 N ATOM 419 CA PROB 53 37.758 25.253 13.186 1.00 21.26 6 C ATOM 420 C PRO B 53 38.72624.150 12.836 1.00 23.87 6 C ATOM 421 O PRO B 53 38.347 22.969 12.9101.00 25.13 8 O ATOM 422 CB PRO B 53 37.932 25.951 14.534 1.00 19.11 6 CATOM 423 CG PRO B 53 36.997 25.201 15.394 1.00 22.76 6 C ATOM 424 CD PROB 53 35.842 24.747 14.518 1.00 22.84 6 C ATOM 425 N PRO B 54 39.87824.558 12.390 1.00 25.90 7 N ATOM 426 CA PRO B 54 40.930 23.646 12.0231.00 28.49 6 C ATOM 427 C PRO B 54 41.344 22.889 13.256 1.00 33.78 6 CATOM 428 O PRO B 54 41.152 23.396 14.380 1.00 36.09 8 O ATOM 429 CB PROB 54 42.022 24.566 11.555 1.00 27.21 6 C ATOM 430 CG PRO B 54 41.76025.960 12.048 1.00 27.82 6 C ATOM 431 CD PRO B 54 40.303 26.001 12.3471.00 26.80 6 C ATOM 432 N ASP B 55 41.847 21.671 13.064 1.00 36.13 7 NATOM 433 CA ASP B 55 42.324 20.841 14.165 1.00 34.16 6 C ATOM 434 C ASPB 55 43.637 20.328 13.636 1.00 35.50 6 C ATOM 435 O ASP B 55 43.58519.462 12.772 1.00 38.97 8 O ATOM 436 CB ASP B 55 41.377 19.757 14.6451.00 33.74 6 C ATOM 437 CG ASP B 55 41.954 19.150 15.919 1.00 34.18 6 CATOM 438 OD1 ASP B 55 43.197 19.005 15.995 1.00 38.50 8 O ATOM 439 OD2ASP B 55 41.275 18.799 16.863 1.00 36.49 8 O ATOM 440 N GLU B 56 44.72320.857 14.052 1.00 36.17 7 N ATOM 441 CA GLU B 56 46.085 20.556 13.6241.00 37.43 6 C ATOM 442 C GLU B 56 46.457 19.120 13.888 1.00 37.76 6 CATOM 443 O GLU B 56 47.169 18.489 13.107 1.00 38.26 8 O ATOM 444 CB GLUB 56 47.028 21.583 14.217 1.00 37.41 6 C ATOM 445 CG GLU B 56 47.04122.930 13.529 1.00 35.74 6 C ATOM 446 CD GLU B 56 47.339 22.949 12.0551.00 39.31 6 C ATOM 447 OE1 GLU B 56 47.995 22.144 11.348 1.00 37.10 8 OATOM 448 OE2 GLU B 56 46.842 23.945 11.443 1.00 41.28 8 O ATOM 449 N ARGB 57 45.913 18.450 14.872 1.00 36.64 7 N ATOM 450 CA ARG B 57 46.22417.067 15.105 1.00 36.77 6 C ATOM 451 C ARG B 57 45.657 16.173 13.9921.00 38.45 6 C ATOM 452 O ARG B 57 45.937 14.955 14.043 1.00 35.98 8 OATOM 453 CB ARG B 57 45.463 16.665 16.357 1.00 37.75 6 C ATOM 454 CG ARGB 57 45.857 17.161 17.730 1.00 39.93 6 C ATOM 455 CD ARG B 57 44.93416.289 18.680 1.00 43.05 6 C ATOM 456 NE ARG B 57 43.707 17.050 18.6651.00 43.89 7 N ATOM 457 CZ ARG B 57 42.669 16.850 19.474 1.00 48.81 6 CATOM 458 NH1 ARG B 57 42.924 15.824 20.320 1.00 49.04 7 N ATOM 459 NH2ARG B 57 41.548 17.629 19.385 1.00 43.97 7 N ATOM 460 N PHE B 58 44.79416.614 13.061 1.00 35.98 7 N ATOM 461 CA PHE B 58 44.181 15.779 12.0561.00 31.46 6 C ATOM 462 C PHE B 58 44.216 16.441 10.688 1.00 32.33 6 CATOM 463 O PHE B 58 43.282 17.062 10.210 1.00 33.93 8 O ATOM 464 CB PHEB 58 42.740 15.512 12.472 1.00 32.61 6 C ATOM 465 CG PHE B 58 42.59814.868 13.834 1.00 34.37 6 C ATOM 466 CD1 PHE B 58 42.144 15.523 14.9321.00 34.10 6 C ATOM 467 CD2 PHE B 58 42.953 13.535 14.002 1.00 36.23 6 CATOM 468 CE1 PHE B 58 42.027 14.927 16.157 1.00 35.92 6 C ATOM 469 CE2PHE B 58 42.836 12.922 15.244 1.00 36.05 6 C ATOM 470 CZ PHE B 58 42.37513.606 16.336 1.00 35.52 6 C ATOM 471 N PRO B 59 45.258 16.233 9.8991.00 31.81 7 N ATOM 472 CA PRO B 59 45.495 16.763 8.596 1.00 30.40 6 CATOM 473 C PRO B 59 44.426 16.644 7.553 1.00 33.46 6 C ATOM 474 O PRO B59 44.442 17.431 6.597 1.00 34.65 8 O ATOM 475 CB PRO B 59 46.697 15.9358.133 1.00 27.43 6 C ATOM 476 CG PRO B 59 47.474 15.468 9.308 1.00 24.406 C ATOM 477 CD PRO B 59 46.440 15.362 10.354 1.00 31.31 6 C ATOM 478 NASP B 60 43.585 15.617 7.598 1.00 32.30 7 N ATOM 479 CA ASP B 60 42.57515.368 6.593 1.00 32.25 6 C ATOM 480 C ASP B 60 41.229 15.696 7.209 1.0031.41 6 C ATOM 481 O ASP B 60 40.179 15.461 6.613 1.00 30.80 8 O ATOM482 CB ASP B 60 42.652 13.894 6.095 1.00 35.82 6 C ATOM 483 CG ASP B 6043.699 13.539 5.019 1.00 41.10 6 C ATOM 484 OD1 ASP B 60 43.750 13.9633.855 1.00 42.33 8 O ATOM 485 OD2 ASP B 60 44.625 12.712 5.351 1.0043.52 8 O ATOM 486 N SER B 61 41.099 16.314 8.409 1.00 29.05 7 N ATOM487 CA SER B 61 39.859 16.614 9.060 1.00 27.80 6 C ATOM 488 C SER B 6139.018 17.591 8.247 1.00 25.25 6 C ATOM 489 O SER B 61 37.807 17.7118.480 1.00 25.86 8 O ATOM 490 CB SER B 61 39.948 17.063 10.552 1.0028.51 6 C ATOM 491 OG SER B 61 40.869 18.182 10.508 1.00 30.78 8 O ATOM492 N VAL B 62 39.501 18.239 7.243 1.00 25.32 7 N ATOM 493 CA VAL B 6238.796 19.101 6.339 1.00 23.96 6 C ATOM 494 C VAL B 62 37.884 18.1395.591 1.00 27.59 6 C ATOM 495 O VAL B 62 36.827 18.606 5.133 1.00 29.348 O ATOM 496 CB VAL B 62 39.739 19.693 5.266 1.00 25.54 6 C ATOM 497 CG1VAL B 62 40.432 18.640 4.437 1.00 22.14 6 C ATOM 498 CG2 VAL B 62 39.01920.639 4.294 1.00 22.52 6 C ATOM 499 N PHE B 63 38.171 16.833 5.455 1.0026.99 7 N ATOM 500 CA PHE B 63 37.238 15.947 4.741 1.00 28.20 6 C ATOM501 C PHE B 63 36.190 15.397 5.680 1.00 29.66 6 C ATOM 502 O PHE B 6336.043 14.211 6.074 1.00 30.88 8 O ATOM 503 CB PHE B 63 38.154 14.9144.080 1.00 28.53 6 C ATOM 504 CG PHE B 63 38.967 15.393 2.915 1.00 28.726 C ATOM 505 CD1 PHE B 63 40.267 14.926 2.792 1.00 30.01 6 C ATOM 506CD2 PHE B 63 38.567 16.243 1.961 1.00 28.37 6 C ATOM 507 CE1 PHE B 6341.106 15.277 1.784 1.00 28.57 6 C ATOM 508 CE2 PHE B 63 39.326 16.6670.902 1.00 29.15 6 C ATOM 509 CZ PHE B 63 40.599 16.151 0.854 1.00 32.626 C ATOM 510 N VAL B 64 35.266 16.246 6.132 1.00 29.17 7 N ATOM 511 CAVAL B 64 34.233 15.906 7.138 1.00 28.69 6 C ATOM 512 C VAL B 64 33.28714.892 6.605 1.00 28.04 6 C ATOM 513 O VAL B 64 32.539 14.293 7.376 1.0028.00 8 O ATOM 514 CB VAL B 64 33.499 17.124 7.807 1.00 30.24 6 C ATOM515 CG1 VAL B 64 34.597 18.113 8.251 1.00 32.67 6 C ATOM 516 CG2 VAL B64 32.584 17.874 6.861 1.00 27.31 6 C ATOM 517 N GLU B 65 33.214 14.6335.295 1.00 28.08 7 N ATOM 518 CA GLU B 65 32.302 13.568 4.811 1.00 26.346 C ATOM 519 C GLU B 65 32.709 12.218 5.414 1.00 27.29 6 C ATOM 520 OGLU B 65 31.775 11.470 5.657 1.00 26.81 8 O ATOM 521 CB GLU B 65 32.36913.427 3.288 1.00 27.27 6 C ATOM 522 CG GLU B 65 31.980 12.129 2.6141.00 28.06 6 C ATOM 523 CD GLU B 65 31.652 12.280 1.132 1.00 29.42 6 CATOM 524 OE1 GLU B 65 32.535 12.066 0.241 1.00 33.67 8 O ATOM 525 OE2GLU B 65 30.530 12.625 0.736 1.00 27.39 8 O ATOM 526 N ASP B 66 34.01211.901 5.728 1.00 27.65 7 N ATOM 527 CA ASP B 66 34.288 10.572 6.2341.00 27.31 6 C ATOM 528 C ASP B 66 33.805 10.142 7.556 1.00 29.71 6 CATOM 529 O ASP B 66 33.232 9.046 7.600 1.00 31.57 8 O ATOM 530 CB ASP B66 35.752 10.153 6.004 1.00 29.68 6 C ATOM 531 CG ASP B 66 35.878 10.1854.467 1.00 30.27 6 C ATOM 532 OD1 ASP B 66 35.073 9.586 3.707 1.00 29.408 O ATOM 533 OD2 ASP B 66 36.831 10.863 4.067 1.00 32.32 8 O ATOM 534 NPRO B 67 33.895 10.888 8.620 1.00 32.42 7 N ATOM 535 CA PRO B 67 33.49210.452 9.943 1.00 29.38 6 C ATOM 536 C PRO B 67 32.069 10.470 10.3001.00 31.31 6 C ATOM 537 O PRO B 67 31.721 10.152 11.456 1.00 34.21 8 OATOM 538 CB PRO B 67 34.336 11.369 10.847 1.00 32.40 6 C ATOM 539 CG PROB 67 34.256 12.637 10.050 1.00 32.58 6 C ATOM 540 CD PRO B 67 34.61712.208 8.646 1.00 32.58 6 C ATOM 541 N VAL B 68 31.031 10.705 9.533 1.0031.12 7 N ATOM 542 CA VAL B 68 29.665 10.709 9.949 1.00 30.61 6 C ATOM543 C VAL B 68 28.770 10.515 8.714 1.00 30.18 6 C ATOM 544 O VAL B 6829.157 11.104 7.756 1.00 29.48 8 O ATOM 545 CB VAL B 68 29.079 12.10110.461 1.00 29.80 6 C ATOM 546 CG1 VAL B 68 27.757 11.920 11.257 1.0024.42 6 C ATOM 547 CG2 VAL B 68 30.096 12.931 11.174 1.00 27.14 6 C ATOM548 N LEU B 69 27.667 9.821 8.829 1.00 29.80 7 N ATOM 549 CA LEU B 6926.757 9.710 7.715 1.00 31.09 6 C ATOM 550 C LEU B 69 25.515 10.4548.223 1.00 32.12 6 C ATOM 551 O LEU B 69 25.094 10.024 9.331 1.00 33.348 O ATOM 552 CB LEU B 69 26.315 8.288 7.402 1.00 29.41 6 C ATOM 553 CGLEU B 69 25.336 8.098 6.233 1.00 27.88 6 C ATOM 554 CD1 LEU B 69 26.0368.651 5.037 1.00 24.06 6 C ATOM 555 CD2 LEU B 69 24.842 6.669 6.044 1.0026.77 6 C ATOM 556 N CYS B 70 25.055 11.475 7.503 1.00 28.60 7 N ATOM557 CA CYS B 70 23.872 12.165 8.057 1.00 31.55 6 C ATOM 558 C CYS B 7022.657 11.772 7.237 1.00 33.58 6 C ATOM 559 O CYS B 70 22.688 12.0556.046 1.00 33.52 8 O ATOM 560 CB CYS B 70 23.974 13.697 8.020 1.00 29.406 C ATOM 561 SG CYS B 70 25.279 14.187 9.105 1.00 28.56 16 S ATOM 562 NTHR B 71 21.637 11.187 7.857 1.00 36.16 7 N ATOM 563 CA THR B 71 20.46510.806 7.037 1.00 38.64 6 C ATOM 564 C THR B 71 19.293 11.640 7.496 1.0039.50 6 C ATOM 565 O THR B 71 19.424 12.566 8.304 1.00 39.95 8 O ATOM566 CB THR B 71 20.205 9.278 7.164 1.00 38.71 6 C ATOM 567 OG1 THR B 7119.707 8.976 8.465 1.00 38.17 8 O ATOM 568 CG2 THR B 71 21.532 8.5347.001 1.00 37.87 6 C ATOM 569 N SER B 72 18.074 11.330 7.093 1.00 38.977 N ATOM 570 CA SER B 72 16.926 12.153 7.456 1.00 36.76 6 C ATOM 571 CSER B 72 16.267 11.648 8.726 1.00 40.40 6 C ATOM 572 O SER B 72 15.23612.211 9.155 1.00 40.70 8 O ATOM 573 CB SER B 72 15.845 12.097 6.3821.00 33.75 6 C ATOM 574 OG SER B 72 15.656 10.697 6.364 1.00 39.66 8 OATOM 575 N ARG B 73 16.872 10.567 9.279 1.00 41.30 7 N ATOM 576 CA ARG B73 16.336 9.983 10.511 1.00 40.24 6 C ATOM 577 C ARG B 73 17.366 9.85911.583 1.00 40.33 6 C ATOM 578 O ARG B 73 16.865 9.888 12.704 1.00 44.898 O ATOM 579 CB ARG B 73 15.649 8.642 10.250 1.00 40.64 6 C ATOM 580 CGARG B 73 14.533 8.909 9.220 1.00 43.07 6 C ATOM 581 CD ARG B 73 13.3818.031 9.105 1.00 46.97 6 C ATOM 582 NE ARG B 73 12.878 7.954 7.720 1.0052.51 7 N ATOM 583 CZ ARG B 73 12.508 6.739 7.269 1.00 54.93 6 C ATOM584 NH1 ARG B 73 12.595 5.645 8.042 1.00 56.12 7 N ATOM 585 NH2 ARG B 7312.042 6.576 6.035 1.00 57.41 7 N ATOM 586 N CYS B 74 18.650 9.82011.357 1.00 36.47 7 N ATOM 587 CA CYS B 74 19.622 9.688 12.425 1.0036.75 6 C ATOM 588 C CYS B 74 20.909 10.138 11.730 1.00 35.64 6 C ATOM589 O CYS B 74 20.773 10.460 10.564 1.00 38.53 8 O ATOM 590 CB CYS B 7419.909 8.216 12.834 1.00 37.46 6 C ATOM 591 SG CYS B 74 20.136 7.11511.380 1.00 37.59 16 S ATOM 592 N ALA B 75 22.000 10.071 12.404 1.0033.17 7 N ATOM 593 CA ALA B 75 23.329 10.369 12.023 1.00 33.65 6 C ATOM594 C ALA B 75 24.159 9.175 12.596 1.00 34.81 6 C ATOM 595 O ALA B 7523.802 8.789 13.704 1.00 34.11 8 O ATOM 596 CB ALA B 75 23.852 11.65812.649 1.00 26.62 6 C ATOM 597 N ILE B 76 25.145 8.654 11.824 1.00 31.157 N ATOM 598 CA ILE B 76 25.901 7.552 12.351 1.00 29.78 6 C ATOM 599 CILE B 76 27.343 8.012 12.444 1.00 30.84 6 C ATOM 600 O ILE B 76 27.7718.411 11.347 1.00 33.08 8 O ATOM 601 CB ILE B 76 25.790 6.265 11.4831.00 28.63 6 C ATOM 602 CG1 ILE B 76 24.348 5.715 11.492 1.00 25.35 6 CATOM 603 CG2 ILE B 76 26.709 5.113 11.959 1.00 26.69 6 C ATOM 604 CD1ILE B 76 23.539 6.458 10.420 1.00 22.89 6 C ATOM 605 N ILE B 77 27.9568.056 13.592 1.00 30.09 7 N ATOM 606 CA ILE B 77 29.341 8.464 13.7271.00 29.98 6 C ATOM 607 C ILE B 77 30.075 7.299 13.103 1.00 34.01 6 CATOM 608 O ILE B 77 29.820 6.189 13.579 1.00 39.53 8 O ATOM 609 CB ILE B77 29.716 8.686 15.162 1.00 26.31 6 C ATOM 610 CG1 ILE B 77 28.970 9.81215.892 1.00 31.61 6 C ATOM 611 CG2 ILE B 77 31.159 8.992 15.247 1.0023.83 6 C ATOM 612 CD1 ILE B 77 28.823 11.124 15.162 1.00 36.62 6 C ATOM613 N THR B 78 30.860 7.449 12.064 1.00 34.45 7 N ATOM 614 CA THR B 7831.518 6.294 11.489 1.00 34.40 6 C ATOM 615 C THR B 78 32.733 5.87012.287 1.00 37.50 6 C ATOM 616 O THR B 78 32.864 6.307 13.452 1.00 40.278 O ATOM 617 CB THR B 78 31.863 6.664 10.022 1.00 35.34 6 C ATOM 618 OG1THR B 78 32.884 7.638 9.901 1.00 31.85 8 O ATOM 619 CG2 THR B 78 30.6047.019 9.264 1.00 32.16 6 C ATOM 620 N ARG B 79 33.634 5.058 11.710 1.0036.76 7 N ATOM 621 CA ARG B 79 34.861 4.607 12.362 1.00 35.04 6 C ATOM622 C ARG B 79 35.860 4.327 11.232 1.00 36.44 6 C ATOM 623 O ARG B 7935.960 3.230 10.733 1.00 35.64 8 O ATOM 624 CB ARG B 79 34.648 3.30813.154 1.00 34.05 6 C ATOM 625 CG ARG B 79 35.802 2.861 13.978 1.0031.80 6 C ATOM 626 CD ARG B 79 35.456 1.753 15.026 1.00 36.53 6 C ATOM627 NE ARG B 79 36.811 1.555 15.519 1.00 39.26 7 N ATOM 628 CZ ARG B 7937.696 0.661 15.112 1.00 41.66 6 C ATOM 629 NH1 ARG B 79 37.233 −0.12614.154 1.00 39.87 7 N ATOM 630 NH2 ARG B 79 38.913 0.672 15.720 1.0043.81 7 N ATOM 631 N PRO B 80 36.581 5.363 10.827 1.00 38.23 7 N ATOM632 CA PRO B 80 37.528 5.359 9.785 1.00 39.29 6 C ATOM 633 C PRO B 8038.592 4.243 9.846 1.00 39.91 6 C ATOM 634 O PRO B 80 39.040 3.83610.913 1.00 38.77 8 O ATOM 635 CB PRO B 80 38.174 6.718 9.756 1.00 35.256 C ATOM 636 CG PRO B 80 37.292 7.553 10.552 1.00 36.37 6 C ATOM 637 CDPRO B 80 36.443 6.720 11.408 1.00 38.31 6 C ATOM 638 N GLY B 81 38.9023.915 8.572 1.00 39.92 7 N ATOM 639 CA GLY B 81 39.874 2.848 8.402 1.0043.26 6 C ATOM 640 C GLY B 81 41.200 3.417 8.834 1.00 44.29 6 C ATOM 641O GLY B 81 41.753 2.697 9.667 1.00 45.90 8 O ATOM 642 N ALA B 82 41.5634.555 8.234 1.00 44.34 7 N ATOM 643 CA ALA B 82 42.878 5.073 8.698 1.0044.59 6 C ATOM 644 C ALA B 82 42.780 5.397 10.176 1.00 47.27 6 C ATOM645 O ALA B 82 41.802 6.037 10.661 1.00 46.93 8 O ATOM 646 CB ALA B 8243.327 6.349 8.000 1.00 44.15 6 C ATOM 647 N GLU B 83 43.838 4.97410.886 1.00 49.39 7 N ATOM 648 CA GLU B 83 43.835 5.246 12.339 1.0050.04 6 C ATOM 649 C GLU B 83 44.184 6.705 12.543 1.00 48.35 6 C ATOM650 O GLU B 83 43.818 7.193 13.607 1.00 50.09 8 O ATOM 651 CB GLU B 8344.877 4.461 13.156 1.00 54.31 6 C ATOM 652 CG GLU B 83 44.952 4.58914.616 0.00 25.00 6 C ATOM 653 CD GLU B 83 45.959 3.701 15.321 0.0025.00 6 C ATOM 654 OE1 GLU B 83 46.636 2.909 14.634 0.00 25.00 8 O ATOM655 OE2 GLU B 83 46.070 3.797 16.562 0.00 25.00 8 O ATOM 656 N SER B 8444.866 7.388 11.643 1.00 45.62 7 N ATOM 657 CA SER B 84 45.150 8.79811.945 1.00 44.32 6 C ATOM 658 C SER B 84 43.853 9.620 11.806 1.00 43.596 C ATOM 659 O SER B 84 43.688 10.749 12.223 1.00 44.43 8 O ATOM 660 CBSER B 84 46.187 9.340 10.942 1.00 41.75 6 C ATOM 661 OG SER B 84 45.5929.067 9.670 1.00 40.88 8 O ATOM 662 N ARG B 85 42.791 9.122 11.207 1.0042.21 7 N ATOM 663 CA ARG B 85 41.574 9.856 11.035 1.00 40.36 6 C ATOM664 C ARG B 85 40.525 9.387 12.012 1.00 43.01 6 C ATOM 665 O ARG B 8539.387 9.881 12.065 1.00 43.24 8 O ATOM 666 CB ARG B 85 41.080 9.8579.621 1.00 36.83 6 C ATOM 667 CG ARG B 85 42.139 10.107 8.563 1.00 30.396 C ATOM 668 CD ARG B 85 41.462 10.353 7.219 1.00 33.58 6 C ATOM 669 NEARG B 85 40.263 11.191 7.518 1.00 37.12 7 N ATOM 670 CZ ARG B 85 39.24211.576 6.736 1.00 32.99 6 C ATOM 671 NH1 ARG B 85 39.102 11.269 5.4671.00 28.35 7 N ATOM 672 NH2 ARG B 85 38.323 12.324 7.306 1.00 29.95 7 NATOM 673 N ARG B 86 40.953 8.448 12.857 1.00 43.02 7 N ATOM 674 CA ARG B86 39.938 7.954 13.793 1.00 44.16 6 C ATOM 675 C ARG B 86 39.485 9.01314.769 1.00 43.25 6 C ATOM 676 O ARG B 86 38.295 9.219 15.050 1.00 41.238 O ATOM 677 CB ARG B 86 40.477 6.655 14.419 1.00 48.03 6 C ATOM 678 CGARG B 86 39.367 5.922 15.181 1.00 50.46 6 C ATOM 679 CD ARG B 86 39.5464.429 15.097 1.00 53.10 6 C ATOM 680 NE ARG B 86 39.781 3.952 13.7161.00 55.19 7 N ATOM 681 CZ ARG B 86 40.347 2.725 13.590 1.00 57.50 6 CATOM 682 NH1 ARG B 86 40.693 1.952 14.622 1.00 57.03 7 N ATOM 683 NH2ARG B 86 40.580 2.244 12.376 1.00 58.92 7 N ATOM 684 N GLY B 87 40.4389.760 15.365 1.00 42.69 7 N ATOM 685 CA GLY B 87 40.013 10.829 16.3131.00 39.83 6 C ATOM 686 C GLY B 87 39.084 11.849 15.657 1.00 39.04 6 CATOM 687 O GLY B 87 38.337 12.516 16.398 1.00 39.11 8 O ATOM 688 N GLU B88 38.971 12.018 14.312 1.00 34.71 7 N ATOM 689 CA GLU B 88 38.04312.967 13.729 1.00 33.19 6 C ATOM 690 C GLU B 88 36.633 12.690 14.1401.00 34.80 6 C ATOM 691 O GLU B 88 35.765 13.576 14.159 1.00 39.09 8 OATOM 692 CB GLU B 88 38.090 13.143 12.189 1.00 31.20 6 C ATOM 693 CG GLUB 88 39.544 13.085 11.777 1.00 29.34 6 C ATOM 694 CD GLU B 88 39.78713.201 10.318 1.00 32.64 6 C ATOM 695 OE1 GLU B 88 38.835 13.427 9.5391.00 34.29 8 O ATOM 696 OE2 GLU B 88 40.965 13.070 9.888 1.00 31.61 8 OATOM 697 N THR B 89 36.277 11.529 14.602 1.00 34.57 7 N ATOM 698 CA THRB 89 34.935 11.273 15.099 1.00 35.38 6 C ATOM 699 C THR B 89 34.76912.003 16.419 1.00 35.89 6 C ATOM 700 O THR B 89 33.575 12.273 16.7061.00 38.88 8 O ATOM 701 CB THR B 89 34.641 9.774 15.322 1.00 35.76 6 CATOM 702 OG1 THR B 89 35.489 9.096 16.277 1.00 43.26 8 O ATOM 703 CG2THR B 89 35.122 9.189 14.004 1.00 37.54 6 C ATOM 704 N GLU B 90 35.77512.245 17.246 1.00 35.28 7 N ATOM 705 CA GLU B 90 35.493 12.823 18.5681.00 40.16 6 C ATOM 706 C GLU B 90 35.289 14.324 18.497 1.00 38.17 6 CATOM 707 O GLU B 90 34.648 14.926 19.332 1.00 38.54 8 O ATOM 708 CB GLUB 90 36.609 12.423 19.569 1.00 42.50 6 C ATOM 709 CG GLU B 90 36.57310.981 19.988 1.00 53.93 6 C ATOM 710 CD GLU B 90 37.638 10.489 20.9561.00 62.24 6 C ATOM 711 OE1 GLU B 90 38.672 11.205 21.177 1.00 67.37 8 OATOM 712 OE2 GLU B 90 37.552 9.383 21.566 1.00 65.45 8 O ATOM 713 N ILEB 91 35.877 14.948 17.499 1.00 36.26 7 N ATOM 714 CA ILE B 91 35.82016.388 17.427 1.00 33.14 6 C ATOM 715 C ILE B 91 34.668 16.816 16.5731.00 34.91 6 C ATOM 716 O ILE B 91 34.601 17.996 16.237 1.00 38.56 8 OATOM 717 CB ILE B 91 37.128 17.108 16.937 1.00 30.68 6 C ATOM 718 CG1ILE B 91 37.458 16.782 15.490 1.00 28.99 6 C ATOM 719 CG2 ILE B 9138.332 16.862 17.878 1.00 26.11 6 C ATOM 720 CD1 ILE B 91 38.719 17.40114.886 1.00 26.12 6 C ATOM 721 N ILE B 92 33.779 15.941 16.125 1.0033.56 7 N ATOM 722 CA ILE B 92 32.713 16.404 15.261 1.00 30.05 6 C ATOM723 C ILE B 92 31.426 15.972 15.945 1.00 28.90 6 C ATOM 724 O ILE B 9230.378 16.501 15.568 1.00 31.74 8 O ATOM 725 CB ILE B 92 32.748 15.84613.827 1.00 31.59 6 C ATOM 726 CG1 ILE B 92 31.798 16.709 12.926 1.0030.23 6 C ATOM 727 CG2 ILE B 92 32.117 14.437 13.736 1.00 27.81 6 C ATOM728 CD1 ILE B 92 32.167 16.803 11.482 1.00 30.78 6 C ATOM 729 N GLU B 9331.504 15.062 16.873 1.00 28.89 7 N ATOM 730 CA GLU B 93 30.268 14.64017.509 1.00 35.45 6 C ATOM 731 C GLU B 93 29.491 15.712 18.240 1.0034.44 6 C ATOM 732 O GLU B 93 28.263 15.578 18.326 1.00 36.73 8 O ATOM733 CB GLU B 93 30.598 13.525 18.518 1.00 40.07 6 C ATOM 734 CG GLU B 9329.353 12.765 18.918 1.00 44.70 6 C ATOM 735 CD GLU B 93 29.711 11.39119.469 1.00 50.92 6 C ATOM 736 OE1 GLU B 93 30.827 10.856 19.155 1.0051.61 8 O ATOM 737 OE2 GLU B 93 28.782 10.921 20.223 1.00 53.15 8 O ATOM738 N GLU B 94 30.090 16.741 18.773 1.00 34.39 7 N ATOM 739 CA GLU B 9429.265 17.705 19.514 1.00 38.62 6 C ATOM 740 C GLU B 94 28.196 18.27418.557 1.00 36.04 6 C ATOM 741 O GLU B 94 27.006 18.293 18.757 1.0031.38 8 O ATOM 742 CB GLU B 94 30.195 18.606 20.292 1.00 40.91 6 C ATOM743 CG GLU B 94 29.427 19.538 21.225 1.00 48.97 6 C ATOM 744 CD GLU B 9430.417 20.417 22.006 1.00 55.09 6 C ATOM 745 OE1 GLU B 94 31.206 19.90322.827 1.00 55.37 8 O ATOM 746 OE2 GLU B 94 30.365 21.664 21.751 1.0060.55 8 O ATOM 747 N THR B 95 28.660 18.737 17.393 1.00 34.73 7 N ATOM748 CA THR B 95 27.929 19.329 16.278 1.00 31.45 6 C ATOM 749 C THR B 9526.889 18.341 15.841 1.00 32.92 6 C ATOM 750 O THR B 95 25.719 18.73215.765 1.00 35.08 8 O ATOM 751 CB THR B 95 28.942 19.517 15.122 1.0031.31 6 C ATOM 752 OG1 THR B 95 30.049 20.307 15.622 1.00 33.37 8 O ATOM753 CG2 THR B 95 28.419 20.313 13.988 1.00 28.11 6 C ATOM 754 N VAL B 9627.282 17.062 15.626 1.00 31.67 7 N ATOM 755 CA VAL B 96 26.280 16.12515.237 1.00 31.65 6 C ATOM 756 C VAL B 96 25.204 15.998 16.281 1.0034.00 6 C ATOM 757 O VAL B 96 23.990 16.068 15.900 1.00 34.23 8 O ATOM758 CB VAL B 96 26.847 14.753 14.807 1.00 31.85 6 C ATOM 759 CG1 VAL B96 25.644 13.870 14.537 1.00 26.93 6 C ATOM 760 CG2 VAL B 96 27.72814.870 13.600 1.00 30.75 6 C ATOM 761 N GLN B 97 25.583 15.822 17.5851.00 35.53 7 N ATOM 762 CA GLN B 97 24.535 15.707 18.591 1.00 39.42 6 CATOM 763 C GLN B 97 23.508 16.833 18.568 1.00 40.87 6 C ATOM 764 O GLN B97 22.251 16.696 18.646 1.00 42.58 8 O ATOM 765 CB GLN B 97 25.22215.713 19.979 1.00 43.19 6 C ATOM 766 CG GLN B 97 24.522 14.820 20.9991.00 43.73 6 C ATOM 767 CD GLN B 97 24.830 13.365 20.753 1.00 43.90 6 CATOM 768 OE1 GLN B 97 23.890 12.595 20.727 1.00 45.57 8 O ATOM 769 NE2GLN B 97 26.074 12.926 20.568 1.00 45.69 7 N ATOM 770 N ARG B 98 24.03118.072 18.413 1.00 39.48 7 N ATOM 771 CA ARG B 98 23.128 19.226 18.4401.00 40.24 6 C ATOM 772 C ARG B 98 22.098 19.195 17.341 1.00 39.75 6 CATOM 773 O ARG B 98 21.002 19.709 17.489 1.00 40.11 8 O ATOM 774 CB ARGB 98 23.952 20.478 18.429 1.00 44.31 6 C ATOM 775 CG ARG B 98 23.19421.802 18.364 1.00 47.62 6 C ATOM 776 CD ARG B 98 24.299 22.864 18.4091.00 51.78 6 C ATOM 777 NE ARG B 98 25.365 22.690 19.401 1.00 56.13 7 NATOM 778 CZ ARG B 98 26.651 22.479 19.150 1.00 58.93 6 C ATOM 779 NH1ARG B 98 27.068 22.408 17.880 1.00 60.22 7 N ATOM 780 NH2 ARG B 9827.514 22.342 20.170 1.00 59.27 7 N ATOM 781 N PHE B 99 22.384 18.62416.172 1.00 36.80 7 N ATOM 782 CA PHE B 99 21.448 18.496 15.062 1.0032.26 6 C ATOM 783 C PHE B 99 20.634 17.223 15.153 1.00 32.21 6 C ATOM784 O PHE B 99 19.543 17.051 14.611 1.00 26.79 8 O ATOM 785 CB PHE B 9922.228 18.509 13.751 1.00 32.53 6 C ATOM 786 CG PHE B 99 22.757 19.81413.242 1.00 32.58 6 C ATOM 787 CD1 PHE B 99 24.099 20.146 13.375 1.0033.27 6 C ATOM 788 CD2 PHE B 99 21.918 20.720 12.623 1.00 31.75 6 C ATOM789 CE1 PHE B 99 24.591 21.364 12.900 1.00 30.86 6 C ATOM 790 CE2 PHE B99 22.383 21.911 12.151 1.00 31.14 6 C ATOM 791 CZ PHE B 99 23.71222.220 12.294 1.00 30.12 6 C ATOM 792 N TYR B 100 21.179 16.174 15.8301.00 32.52 7 N ATOM 793 CA TYR B 100 20.407 14.956 16.039 1.00 34.89 6 CATOM 794 C TYR B 100 20.314 14.484 17.504 1.00 38.07 6 C ATOM 795 O TYRB 100 20.820 13.421 17.940 1.00 39.72 8 O ATOM 796 CB TYR B 100 21.11613.906 15.223 1.00 34.13 6 C ATOM 797 CG TYR B 100 21.204 14.102 13.7531.00 32.10 6 C ATOM 798 CD1 TYR B 100 22.161 14.880 13.136 1.00 30.26 6C ATOM 799 CD2 TYR B 100 20.246 13.446 12.972 1.00 31.08 6 C ATOM 800CE1 TYR B 100 22.174 15.009 11.772 1.00 31.79 6 C ATOM 801 CE2 TYR B 10020.271 13.582 11.610 1.00 31.02 6 C ATOM 802 CZ TYR B 100 21.236 14.36311.009 1.00 33.06 6 C ATOM 803 OH TYR B 100 21.206 14.458 9.626 1.0033.56 8 O ATOM 804 N PRO B 101 19.691 15.256 18.375 1.00 39.52 7 N ATOM805 CA PRO B 101 19.523 14.889 19.759 1.00 39.48 6 C ATOM 806 C PRO B101 18.812 13.548 19.897 1.00 40.13 6 C ATOM 807 O PRO B 101 17.78413.279 19.269 1.00 40.64 8 O ATOM 808 CB PRO B 101 18.777 16.048 20.3601.00 41.05 6 C ATOM 809 CG PRO B 101 18.127 16.807 19.236 1.00 41.11 6 CATOM 810 CD PRO B 101 18.961 16.530 18.012 1.00 40.28 6 C ATOM 811 N GLYB 102 19.434 12.655 20.702 1.00 40.38 7 N ATOM 812 CA GLY B 102 18.90811.324 20.916 1.00 44.58 6 C ATOM 813 C GLY B 102 18.792 10.520 19.6191.00 47.15 6 C ATOM 814 O GLY B 102 17.912 9.648 19.505 1.00 47.62 8 OATOM 815 N LYS B 103 19.600 10.794 18.568 1.00 45.68 7 N ATOM 816 CA LYSB 103 19.549 10.132 17.288 1.00 43.82 6 C ATOM 817 C LYS B 103 20.8919.975 16.598 1.00 42.18 6 C ATOM 818 O LYS B 103 20.938 10.057 15.3831.00 39.86 8 O ATOM 819 CB LYS B 103 18.464 10.777 16.414 1.00 44.11 6 CATOM 820 CG LYS B 103 17.115 10.111 16.771 1.00 46.78 6 C ATOM 821 CDLYS B 103 16.056 10.719 15.871 1.00 50.69 6 C ATOM 822 CE LYS B 10314.672 10.284 16.385 1.00 52.78 6 C ATOM 823 NZ LYS B 103 14.492 8.81216.477 1.00 53.43 7 N ATOM 824 N VAL B 104 21.952 9.725 17.338 1.0041.60 7 N ATOM 825 CA VAL B 104 23.333 9.524 16.989 1.00 41.58 6 C ATOM826 C VAL B 104 23.683 8.054 17.352 1.00 43.83 6 C ATOM 827 O VAL B 10423.445 7.552 18.444 1.00 43.31 8 O ATOM 828 CB VAL B 104 24.383 10.38417.709 1.00 40.91 6 C ATOM 829 CG1 VAL B 104 25.786 10.161 17.176 1.0039.66 6 C ATOM 830 CG2 VAL B 104 24.017 11.853 17.699 1.00 39.95 6 CATOM 831 N GLU B 105 24.176 7.351 16.338 1.00 43.65 7 N ATOM 832 CA GLUB 105 24.534 5.953 16.280 1.00 42.51 6 C ATOM 833 C GLU B 105 26.0155.860 15.994 1.00 41.76 6 C ATOM 834 O GLU B 105 26.391 6.960 15.6431.00 44.48 8 O ATOM 835 CB GLU B 105 23.845 5.290 15.089 1.00 40.86 6 CATOM 836 CG GLU B 105 22.349 5.310 15.183 1.00 39.35 6 C ATOM 837 CD GLUB 105 21.798 4.232 16.090 1.00 41.59 6 C ATOM 838 OE1 GLU B 105 22.5973.551 16.795 1.00 43.64 8 O ATOM 839 OE2 GLU B 105 20.552 4.061 16.1051.00 37.60 8 O ATOM 840 N ARG B 106 26.724 4.797 16.175 1.00 40.20 7 NATOM 841 CA ARG B 106 28.137 4.733 15.923 1.00 42.67 6 C ATOM 842 C ARGB 106 28.474 3.308 15.451 1.00 45.10 6 C ATOM 843 O ARG B 106 27.7142.376 15.650 1.00 45.19 8 O ATOM 844 CB ARG B 106 28.931 5.146 17.1381.00 43.37 6 C ATOM 845 CG ARG B 106 28.446 4.552 18.444 1.00 46.18 6 CATOM 846 CD ARG B 106 29.143 5.365 19.555 1.00 48.07 6 C ATOM 847 NE ARGB 106 28.239 6.492 19.822 1.00 51.33 7 N ATOM 848 CZ ARG B 106 28.5447.746 19.624 1.00 51.92 6 C ATOM 849 NH1 ARG B 106 29.750 7.995 19.1511.00 48.60 7 N ATOM 850 NH2 ARG B 106 27.543 8.567 19.949 1.00 56.04 7 NATOM 851 N ILE B 107 29.576 3.141 14.751 1.00 43.69 7 N ATOM 852 CA ILEB 107 30.129 1.931 14.233 1.00 41.71 6 C ATOM 853 C ILE B 107 31.1251.501 15.321 1.00 43.67 6 C ATOM 854 O ILE B 107 31.848 2.407 15.7911.00 43.55 8 O ATOM 855 CB ILE B 107 30.872 2.229 12.921 1.00 39.20 6 CATOM 856 CG1 ILE B 107 29.916 2.751 11.880 1.00 34.88 6 C ATOM 857 CG2ILE B 107 31.682 1.007 12.454 1.00 38.36 6 C ATOM 858 CD1 ILE B 10728.907 1.922 11.238 1.00 33.24 6 C ATOM 859 N GLU B 108 31.167 0.23515.725 1.00 45.03 7 N ATOM 860 CA GLU B 108 32.041 −0.219 16.805 1.0043.40 6 C ATOM 861 C GLU B 108 33.157 −1.081 16.281 1.00 44.95 6 C ATOM862 O GLU B 108 32.985 −1.716 15.268 1.00 46.74 8 O ATOM 863 CB GLU B108 31.330 −0.762 17.947 0.00 25.00 6 C ATOM 864 CG GLU B 108 30.1850.121 18.410 0.00 25.00 6 C ATOM 865 CD GLU B 108 29.338 −0.627 19.4190.00 25.00 6 C ATOM 866 OE1 GLU B 108 29.478 −1.864 19.515 0.00 25.00 8O ATOM 867 OE2 GLU B 108 28.531 0.025 20.117 0.00 25.00 8 O ATOM 868 NALA B 109 34.275 −1.131 16.962 1.00 45.26 7 N ATOM 869 CA ALA B 10935.403 −2.010 16.651 1.00 46.19 6 C ATOM 870 C ALA B 109 34.725 −3.37116.549 1.00 44.23 6 C ATOM 871 O ALA B 109 33.738 −3.603 17.277 1.0049.73 8 O ATOM 872 CB ALA B 109 36.445 −1.881 17.773 1.00 43.79 6 C ATOM873 N PRO B 110 35.147 −4.201 15.637 1.00 40.81 7 N ATOM 874 CA PRO B110 36.277 −4.023 14.743 1.00 39.15 6 C ATOM 875 C PRO B 110 35.860−3.574 13.354 1.00 39.84 6 C ATOM 876 O PRO B 110 36.490 −3.601 12.2711.00 37.25 8 O ATOM 877 CB PRO B 110 36.819 −5.469 14.566 1.00 35.24 6 CATOM 878 CG PRO B 110 35.528 −6.169 14.376 1.00 36.94 6 C ATOM 879 CDPRO B 110 34.554 −5.571 15.402 1.00 40.51 6 C ATOM 880 N GLY B 11134.566 −3.152 13.380 1.00 40.10 7 N ATOM 881 CA GLY B 111 33.890 −2.62612.209 1.00 40.74 6 C ATOM 882 C GLY B 111 34.559 −1.264 11.868 1.0042.01 6 C ATOM 883 O GLY B 111 34.876 −0.490 12.738 1.00 39.53 8 O ATOM884 N THR B 112 34.764 −1.022 10.584 1.00 41.30 7 N ATOM 885 CA THR B112 35.395 0.188 10.060 1.00 40.36 6 C ATOM 886 C THR B 112 34.541 0.7378.934 1.00 39.71 6 C ATOM 887 O THR B 112 33.941 −0.101 8.227 1.00 39.578 O ATOM 888 CB THR B 112 36.777 −0.322 9.671 1.00 40.12 6 C ATOM 889OG1 THR B 112 37.807 0.417 10.296 1.00 44.76 8 O ATOM 890 CG2 THR B 11236.967 −0.121 8.195 1.00 35.62 6 C ATOM 891 N VAL B 113 34.381 2.0258.732 1.00 37.76 7 N ATOM 892 CA VAL B 113 33.585 2.724 7.743 1.00 36.056 C ATOM 893 C VAL B 113 33.980 4.228 7.620 1.00 38.06 6 C ATOM 894 OVAL B 113 34.192 5.017 8.542 1.00 37.06 8 O ATOM 895 CB VAL B 113 32.0772.861 8.066 1.00 35.13 6 C ATOM 896 CG1 VAL B 113 31.241 3.512 6.9271.00 32.91 6 C ATOM 897 CG2 VAL B 113 31.253 1.637 8.470 1.00 29.05 6 CATOM 898 N GLU B 114 34.069 4.700 6.366 1.00 37.61 7 N ATOM 899 CA GLU B114 34.367 6.080 5.991 1.00 33.55 6 C ATOM 900 C GLU B 114 33.205 6.4035.061 1.00 33.96 6 C ATOM 901 O GLU B 114 32.951 5.804 4.002 1.00 32.658 O ATOM 902 CB GLU B 114 35.657 6.179 5.242 1.00 35.94 6 C ATOM 903 CGGLU B 114 36.826 5.855 6.180 1.00 32.47 6 C ATOM 904 CD GLU B 114 38.1776.300 5.818 1.00 30.93 6 C ATOM 905 OE1 GLU B 114 38.471 6.837 4.7131.00 29.08 8 O ATOM 906 OE2 GLU B 114 38.944 6.038 6.823 1.00 36.30 8 OATOM 907 N ALA B 115 32.354 7.362 5.499 1.00 30.75 7 N ATOM 908 CA ALA B115 31.189 7.770 4.760 1.00 27.99 6 C ATOM 909 C ALA B 115 31.472 8.2663.352 1.00 28.85 6 C ATOM 910 O ALA B 115 30.528 8.306 2.549 1.00 30.048 O ATOM 911 CB ALA B 115 30.335 8.520 5.682 1.00 23.95 6 C ATOM 912 NGLY B 116 32.668 8.536 2.859 1.00 29.35 7 N ATOM 913 CA GLY B 116 32.8668.859 1.460 1.00 31.95 6 C ATOM 914 C GLY B 116 32.685 7.585 0.592 1.0033.73 6 C ATOM 915 O GLY B 116 32.609 7.635 −0.626 1.00 32.12 8 O ATOM916 N ASP B 117 32.609 6.404 1.238 1.00 34.95 7 N ATOM 917 CA ASP B 11732.320 5.158 0.497 1.00 35.94 6 C ATOM 918 C ASP B 117 30.794 5.0200.404 1.00 37.55 6 C ATOM 919 O ASP B 117 30.365 4.039 −0.168 1.00 39.488 O ATOM 920 CB ASP B 117 32.773 3.840 1.153 1.00 32.97 6 C ATOM 921 CGASP B 117 34.291 3.737 0.961 1.00 35.32 6 C ATOM 922 OD1 ASP B 11734.648 3.967 −0.227 1.00 37.24 8 O ATOM 923 OD2 ASP B 117 35.119 3.4601.857 1.00 33.30 8 O ATOM 924 N ILE B 118 29.958 5.918 0.894 1.00 36.887 N ATOM 925 CA ILE B 118 28.535 5.725 0.878 1.00 38.60 6 C ATOM 926 CILE B 118 27.775 6.695 0.023 1.00 39.93 6 C ATOM 927 O ILE B 118 27.9467.885 0.173 1.00 39.34 8 O ATOM 928 CB ILE B 118 28.087 5.901 2.381 1.0039.31 6 C ATOM 929 CG1 ILE B 118 28.725 4.876 3.331 1.00 39.76 6 C ATOM930 CG2 ILE B 118 26.591 5.769 2.480 1.00 35.77 6 C ATOM 931 CD1 ILE B118 28.380 5.090 4.813 1.00 40.77 6 C ATOM 932 N MET B 119 26.924 6.317−0.908 1.00 40.56 7 N ATOM 933 CA MET B 119 26.172 7.155 −1.812 1.0036.86 6 C ATOM 934 C MET B 119 24.673 7.079 −1.488 1.00 38.06 6 C ATOM935 O MET B 119 24.066 6.002 −1.604 1.00 40.53 8 O ATOM 936 CB MET B 11926.271 6.611 −3.236 1.00 32.64 6 C ATOM 937 CG MET B 119 25.582 7.617−4.186 1.00 33.59 6 C ATOM 938 SD MET B 119 25.930 7.493 −5.943 1.0029.84 16 S ATOM 939 CE MET B 119 25.211 5.840 −6.168 1.00 30.68 6 C ATOM940 N MET B 120 24.075 8.166 −1.129 1.00 35.23 7 N ATOM 941 CA MET B 12022.701 8.282 −0.789 1.00 36.36 6 C ATOM 942 C MET B 120 21.793 8.443−2.026 1.00 37.09 6 C ATOM 943 O MET B 120 21.962 9.385 −2.798 1.0035.44 8 O ATOM 944 CB MET B 120 22.441 9.517 0.143 1.00 31.36 6 C ATOM945 CG MET B 120 21.022 9.526 0.646 1.00 22.26 6 C ATOM 946 SD MET B 12020.634 10.869 1.794 1.00 22.70 16 S ATOM 947 CE MET B 120 20.868 12.2290.616 1.00 15.45 6 C ATOM 948 N VAL B 121 20.805 7.569 −2.191 1.00 36.037 N ATOM 949 CA VAL B 121 19.870 7.646 −3.295 1.00 37.51 6 C ATOM 950 CVAL B 121 18.474 7.472 −2.655 1.00 40.29 6 C ATOM 951 O VAL B 121 18.0296.412 −2.243 1.00 42.42 8 O ATOM 952 CB VAL B 121 19.998 6.666 −4.4611.00 35.14 6 C ATOM 953 CG1 VAL B 121 19.023 6.984 −5.582 1.00 31.14 6 CATOM 954 CG2 VAL B 121 21.382 6.709 −5.107 1.00 35.61 6 C ATOM 955 N GLYB 122 17.767 8.586 −2.561 1.00 39.89 7 N ATOM 956 CA GLY B 122 16.4818.618 −1.949 1.00 39.44 6 C ATOM 957 C GLY B 122 16.700 8.032 −0.5401.00 42.45 6 C ATOM 958 O GLY B 122 17.363 8.639 0.293 1.00 39.63 8 OATOM 959 N ASP B 123 16.173 6.833 −0.224 1.00 45.45 7 N ATOM 960 CA ASPB 123 16.352 6.323 1.123 1.00 45.21 6 C ATOM 961 C ASP B 123 17.2375.076 1.093 1.00 43.17 6 C ATOM 962 O ASP B 123 17.363 4.454 2.157 1.0041.69 8 O ATOM 963 CB ASP B 123 15.132 6.149 1.947 1.00 48.52 6 C ATOM964 CG ASP B 123 14.499 7.291 2.660 1.00 52.47 6 C ATOM 965 OD1 ASP B123 14.796 8.449 3.001 1.00 54.40 8 O ATOM 966 OD2 ASP B 123 13.3207.050 3.045 1.00 57.91 8 O ATOM 967 N HIS B 124 17.859 4.926 −0.068 1.0040.33 7 N ATOM 968 CA HIS B 124 18.764 3.788 −0.169 1.00 41.77 6 C ATOM969 C HIS B 124 20.184 4.327 −0.075 1.00 41.51 6 C ATOM 970 O HIS B 12420.474 5.384 −0.539 1.00 39.70 8 O ATOM 971 CB HIS B 124 18.443 2.915−1.411 1.00 39.31 6 C ATOM 972 CG HIS B 124 19.327 1.707 −1.387 1.0040.46 6 C ATOM 973 ND1 HIS B 124 19.014 0.669 −0.549 1.00 40.16 7 N ATOM974 CD2 HIS B 124 20.464 1.341 −2.035 1.00 40.50 6 C ATOM 975 CE1 HIS B124 19.910 −0.301 −0.671 1.00 39.18 6 C ATOM 976 NE2 HIS B 124 20.7930.081 −1.563 1.00 40.33 7 N ATOM 977 N PHE B 125 21.054 3.596 0.613 1.0041.51 7 N ATOM 978 CA PHE B 125 22.433 3.890 0.783 1.00 40.24 6 C ATOM979 C PHE B 125 23.316 2.758 0.175 1.00 40.86 6 C ATOM 980 O PHE B 12523.375 1.667 0.724 1.00 41.27 8 O ATOM 981 CB PHE B 125 22.846 4.1302.252 1.00 37.30 6 C ATOM 982 CG PHE B 125 22.111 5.345 2.786 1.00 36.196 C ATOM 983 CD1 PHE B 125 20.765 5.232 3.079 1.00 34.48 6 C ATOM 984CD2 PHE B 125 22.738 6.570 2.991 1.00 32.25 6 C ATOM 985 CE1 PHE B 12520.042 6.313 3.562 1.00 34.75 6 C ATOM 986 CE2 PHE B 125 21.964 7.5843.474 1.00 33.63 6 C ATOM 987 CZ PHE B 125 20.634 7.519 3.774 1.00 31.686 C ATOM 988 N TYR B 126 24.029 3.062 −0.915 1.00 37.60 7 N ATOM 989 CATYR B 126 24.974 2.185 −1.534 1.00 38.23 6 C ATOM 990 C TYR B 126 26.2732.294 −0.794 1.00 40.31 6 C ATOM 991 O TYR B 126 26.700 3.408 −0.5471.00 42.77 8 O ATOM 992 CB TYR B 126 25.165 2.604 −2.979 1.00 38.88 6 CATOM 993 CG TYR B 126 23.983 2.322 −3.855 1.00 36.06 6 C ATOM 994 CD1TYR B 126 23.209 3.359 −4.287 1.00 36.47 6 C ATOM 995 CD2 TYR B 12623.629 1.032 −4.252 1.00 39.47 6 C ATOM 996 CE1 TYR B 126 22.120 3.115−5.090 1.00 38.21 6 C ATOM 997 CE2 TYR B 126 22.513 0.768 −5.076 1.0038.32 6 C ATOM 998 CZ TYR B 126 21.777 1.832 −5.482 1.00 37.26 6 C ATOM999 OH TYR B 126 20.684 1.725 −6.273 1.00 39.55 8 O ATOM 1000 N ILE B127 26.901 1.211 −0.329 1.00 43.25 7 N ATOM 1001 CA ILE B 127 28.1321.298 0.482 1.00 40.57 6 C ATOM 1002 C ILE B 127 29.281 0.562 −0.1311.00 43.11 6 C ATOM 1003 O ILE B 127 29.193 −0.667 −0.228 1.00 49.30 8 OATOM 1004 CB ILE B 127 27.847 0.665 1.851 1.00 34.65 6 C ATOM 1005 CG1ILE B 127 26.605 1.269 2.513 1.00 34.17 6 C ATOM 1006 CG2 ILE B 12729.004 0.749 2.779 1.00 33.07 6 C ATOM 1007 CD1 ILE B 127 26.176 0.5383.789 1.00 27.95 6 C ATOM 1008 N GLY B 128 30.371 1.107 −0.581 1.0042.78 7 N ATOM 1009 CA GLY B 128 31.448 0.336 −1.179 1.00 43.25 6 C ATOM1010 C GLY B 128 32.309 −0.370 −0.183 1.00 45.46 6 C ATOM 1011 O GLY B128 32.552 0.155 0.892 1.00 47.44 8 O ATOM 1012 N GLU B 129 32.778−1.582 −0.511 1.00 48.28 7 N ATOM 1013 CA GLU B 129 33.649 −2.259 0.4671.00 48.01 6 C ATOM 1014 C GLU B 129 35.019 −1.761 0.012 1.00 45.40 6 CATOM 1015 O GLU B 129 35.102 −1.714 −1.205 1.00 42.64 8 O ATOM 1016 CBGLU B 129 33.323 −3.708 0.438 1.00 51.12 6 C ATOM 1017 CG GLU B 12934.143 −4.434 1.495 1.00 56.38 6 C ATOM 1018 CD GLU B 129 33.924 −5.9441.442 1.00 61.81 6 C ATOM 1019 OE1 GLU B 129 33.062 −6.392 0.620 1.0062.96 8 O ATOM 1020 OE2 GLU B 129 34.665 −6.568 2.259 1.00 62.20 8 OATOM 1021 N SER B 130 35.936 −1.454 0.932 1.00 42.28 7 N ATOM 1022 CASER B 130 37.180 −0.910 0.382 1.00 43.30 6 C ATOM 1023 C SER B 13038.299 −1.017 1.355 1.00 42.55 6 C ATOM 1024 O SER B 130 38.074 −1.5602.403 1.00 43.03 8 O ATOM 1025 CB SER B 130 36.874 0.600 0.122 1.0044.95 6 C ATOM 1026 OG SER B 130 36.588 1.247 1.391 1.00 41.31 8 O ATOM1027 N ALA B 131 39.451 −0.432 1.034 1.00 45.01 7 N ATOM 1028 CA ALA B131 40.512 −0.539 2.073 1.00 47.73 6 C ATOM 1029 C ALA B 131 39.9160.069 3.327 1.00 47.49 6 C ATOM 1030 O ALA B 131 39.947 −0.497 4.3941.00 51.26 8 O ATOM 1031 CB ALA B 131 41.604 0.389 1.573 1.00 52.68 6 CATOM 1032 N ARG B 132 39.286 1.246 3.204 1.00 45.50 7 N ATOM 1033 CA ARGB 132 38.766 1.944 4.374 1.00 42.43 6 C ATOM 1034 C ARG B 132 37.4381.490 4.865 1.00 40.73 6 C ATOM 1035 O ARG B 132 37.166 1.806 6.048 1.0040.78 8 O ATOM 1036 CB ARG B 132 39.078 3.458 4.131 1.00 40.48 6 C ATOM1037 CG ARG B 132 40.029 4.269 3.563 0.00 25.00 6 C ATOM 1038 CD ARG B132 41.110 4.444 4.592 0.00 25.00 6 C ATOM 1039 NE ARG B 132 42.2645.181 4.075 0.00 25.00 7 N ATOM 1040 CZ ARG B 132 42.376 6.494 3.8680.00 25.00 6 C ATOM 1041 NH1 ARG B 132 41.376 7.360 4.124 0.00 25.00 7 NATOM 1042 NH2 ARG B 132 43.535 6.959 3.383 0.00 25.00 7 N ATOM 1043 NTHR B 133 36.545 0.811 4.201 1.00 39.30 7 N ATOM 1044 CA THR B 13335.272 0.429 4.817 1.00 40.95 6 C ATOM 1045 C THR B 133 35.168 −1.1154.794 1.00 41.88 6 C ATOM 1046 O THR B 133 34.858 −1.732 3.793 1.0040.26 8 O ATOM 1047 CB THR B 133 34.121 1.098 4.070 1.00 40.96 6 C ATOM1048 OG1 THR B 133 34.054 2.552 4.216 1.00 42.16 8 O ATOM 1049 CG2 THR B133 32.756 0.516 4.424 1.00 36.15 6 C ATOM 1050 N ASN B 134 35.445−1.774 5.929 1.00 41.65 7 N ATOM 1051 CA ASN B 134 35.436 −3.241 5.9961.00 39.37 6 C ATOM 1052 C ASN B 134 34.093 −3.886 5.927 1.00 39.34 6 CATOM 1053 O ASN B 134 33.069 −3.220 6.081 1.00 41.85 8 O ATOM 1054 CBASN B 134 36.341 −3.594 7.168 1.00 34.76 6 C ATOM 1055 CG ASN B 13435.829 −3.484 8.533 1.00 35.67 6 C ATOM 1056 OD1 ASN B 134 34.584 −3.4608.689 1.00 33.58 8 O ATOM 1057 ND2 ASN B 134 36.821 −3.432 9.477 1.0036.21 7 N ATOM 1058 N ALA B 135 33.924 −5.183 5.718 1.00 39.70 7 N ATOM1059 CA ALA B 135 32.622 −5.856 5.687 1.00 40.46 6 C ATOM 1060 C ALA B135 31.911 −5.763 7.023 1.00 40.58 6 C ATOM 1061 O ALA B 135 30.686−5.560 7.142 1.00 40.83 8 O ATOM 1062 CB ALA B 135 32.744 −7.328 5.2581.00 42.50 6 C ATOM 1063 N GLU B 136 32.645 −5.811 8.141 1.00 41.50 7 NATOM 1064 CA GLU B 136 31.938 −5.653 9.426 1.00 41.21 6 C ATOM 1065 CGLU B 136 31.286 −4.262 9.455 1.00 43.76 6 C ATOM 1066 O GLU B 13630.140 −3.916 9.837 1.00 44.13 8 O ATOM 1067 CB GLU B 136 32.965 −5.95710.516 1.00 43.15 6 C ATOM 1068 CG GLU B 136 32.520 −5.653 11.938 1.0046.87 6 C ATOM 1069 CD GLU B 136 31.174 −6.340 12.158 1.00 48.23 6 CATOM 1070 OE1 GLU B 136 30.915 −7.296 11.347 1.00 50.53 8 O ATOM 1071OE2 GLU B 136 30.486 −5.906 13.085 1.00 47.90 8 O ATOM 1072 N GLY B 13732.058 −3.261 8.975 1.00 43.51 7 N ATOM 1073 CA GLY B 137 31.651 −1.8608.948 1.00 41.79 6 C ATOM 1074 C GLY B 137 30.320 −1.749 8.202 1.0041.07 6 C ATOM 1075 O GLY B 137 29.281 −1.284 8.682 1.00 42.20 8 O ATOM1076 N ALA B 138 30.366 −2.188 6.945 1.00 38.21 7 N ATOM 1077 CA ALA B138 29.198 −2.165 6.089 1.00 37.54 6 C ATOM 1078 C ALA B 138 28.023−2.869 6.749 1.00 40.46 6 C ATOM 1079 O ALA B 138 26.918 −2.385 6.6731.00 40.61 8 O ATOM 1080 CB ALA B 138 29.547 −2.908 4.809 1.00 35.18 6 CATOM 1081 N ARG B 139 28.282 −4.065 7.341 1.00 41.57 7 N ATOM 1082 CAARG B 139 27.246 −4.808 8.005 1.00 43.16 6 C ATOM 1083 C ARG B 13926.694 −3.985 9.162 1.00 42.14 6 C ATOM 1084 O ARG B 139 25.460 −3.8159.152 1.00 44.47 8 O ATOM 1085 CB ARG B 139 27.720 −6.202 8.507 1.0043.18 6 C ATOM 1086 CG ARG B 139 27.150 −7.131 9.361 0.00 25.00 6 C ATOM1087 CD ARG B 139 27.860 −8.093 10.302 0.00 25.00 6 C ATOM 1088 NE ARG B139 28.382 −7.409 11.482 0.00 25.00 7 N ATOM 1089 CZ ARG B 139 27.615−6.973 12.472 0.00 25.00 6 C ATOM 1090 NH1 ARG B 139 26.304 −7.16212.411 0.00 25.00 7 N ATOM 1091 NH2 ARG B 139 28.149 −6.351 13.512 0.0025.00 7 N ATOM 1092 N GLN B 140 27.501 −3.480 10.086 1.00 39.52 7 N ATOM1093 CA GLN B 140 26.805 −2.709 11.160 1.00 39.49 6 C ATOM 1094 C GLN B140 26.096 −1.547 10.486 1.00 40.72 6 C ATOM 1095 O GLN B 140 24.979−1.247 10.925 1.00 45.21 8 O ATOM 1096 CB GLN B 140 27.638 −2.238 12.3331.00 36.81 6 C ATOM 1097 CG GLN B 140 28.528 −3.125 13.168 1.00 33.96 6C ATOM 1098 CD GLN B 140 29.659 −2.363 13.790 1.00 37.91 6 C ATOM 1099OE1 GLN B 140 29.326 −1.177 14.119 1.00 43.19 8 O ATOM 1100 NE2 GLN B140 30.900 −2.791 14.013 1.00 33.63 7 N ATOM 1101 N MET B 141 26.640−0.878 9.467 1.00 41.05 7 N ATOM 1102 CA MET B 141 26.014 0.281 8.8161.00 39.36 6 C ATOM 1103 C MET B 141 24.664 −0.076 8.308 1.00 37.23 6 CATOM 1104 O MET B 141 23.673 0.530 8.633 1.00 38.84 8 O ATOM 1105 CB METB 141 26.794 0.985 7.699 1.00 41.40 6 C ATOM 1106 CG MET B 141 26.2562.275 7.105 1.00 40.35 6 C ATOM 1107 SD MET B 141 26.172 3.737 8.2441.00 39.15 16 S ATOM 1108 CE MET B 141 27.832 4.067 8.525 1.00 37.72 6 CATOM 1109 N ILE B 142 24.508 −1.122 7.536 1.00 38.06 7 N ATOM 1110 CAILE B 142 23.200 −1.595 7.040 1.00 37.74 6 C ATOM 1111 C ILE B 14222.199 −1.917 8.162 1.00 36.93 6 C ATOM 1112 O ILE B 142 21.016 −1.6418.045 1.00 35.06 8 O ATOM 1113 CB ILE B 142 23.433 −2.852 6.190 1.0036.41 6 C ATOM 1114 CG1 ILE B 142 24.232 −2.333 4.997 1.00 36.64 6 CATOM 1115 CG2 ILE B 142 22.109 −3.458 5.761 1.00 34.43 6 C ATOM 1116 CD1ILE B 142 24.719 −3.358 4.027 1.00 35.31 6 C ATOM 1117 N ALA B 14322.690 −2.447 9.259 1.00 36.65 7 N ATOM 1118 CA ALA B 143 21.886 −2.76910.424 1.00 39.80 6 C ATOM 1119 C ALA B 143 21.308 −1.474 10.971 1.0043.07 6 C ATOM 1120 O ALA B 143 20.084 −1.438 11.189 1.00 45.19 8 O ATOM1121 CB ALA B 143 22.663 −3.504 11.517 1.00 36.00 6 C ATOM 1122 N ILE B144 22.161 −0.456 11.096 1.00 44.32 7 N ATOM 1123 CA ILE B 144 21.5970.813 11.648 1.00 41.90 6 C ATOM 1124 C ILE B 144 20.617 1.463 10.7341.00 43.02 6 C ATOM 1125 O ILE B 144 19.573 1.972 11.148 1.00 45.82 8 OATOM 1126 CB ILE B 144 22.739 1.787 11.926 1.00 40.70 6 C ATOM 1127 CG1ILE B 144 23.594 1.269 13.108 1.00 36.88 6 C ATOM 1128 CG2 ILE B 14422.095 3.120 12.214 1.00 40.48 6 C ATOM 1129 CD1 ILE B 144 25.047 1.61413.034 1.00 35.40 6 C ATOM 1130 N LEU B 145 20.893 1.452 9.430 1.0042.82 7 N ATOM 1131 CA LEU B 145 19.932 2.090 8.509 1.00 43.51 6 C ATOM1132 C LEU B 145 18.599 1.365 8.614 1.00 47.49 6 C ATOM 1133 O LEU B 14517.539 1.980 8.466 1.00 47.82 8 O ATOM 1134 CB LEU B 145 20.538 2.1567.099 1.00 39.56 6 C ATOM 1135 CG LEU B 145 21.733 3.104 6.962 1.0040.75 6 C ATOM 1136 CD1 LEU B 145 22.648 2.654 5.789 1.00 36.14 6 C ATOM1137 CD2 LEU B 145 21.226 4.557 6.726 1.00 39.09 6 C ATOM 1138 N GLU B146 18.658 0.032 8.830 1.00 50.74 7 N ATOM 1139 CA GLU B 146 17.481−0.817 8.933 1.00 52.77 6 C ATOM 1140 C GLU B 146 16.740 −0.510 10.2241.00 51.42 6 C ATOM 1141 O GLU B 146 15.523 −0.326 10.128 1.00 49.82 8 OATOM 1142 CB GLU B 146 17.824 −2.291 8.862 1.00 56.62 6 C ATOM 1143 CGGLU B 146 17.503 −2.883 7.481 1.00 59.19 6 C ATOM 1144 CD GLU B 14618.348 −4.087 7.089 1.00 61.12 6 C ATOM 1145 OE1 GLU B 146 18.854 −4.7888.016 1.00 61.39 8 O ATOM 1146 OE2 GLU B 146 18.522 −4.355 5.874 1.0060.98 8 O ATOM 1147 N LYS B 147 17.495 −0.352 11.316 1.00 50.01 7 N ATOM1148 CA LYS B 147 16.788 0.031 12.549 1.00 50.19 6 C ATOM 1149 C LYS B147 16.004 1.310 12.295 1.00 52.73 6 C ATOM 1150 O LYS B 147 14.9051.478 12.825 1.00 55.50 8 O ATOM 1151 CB LYS B 147 17.752 0.223 13.6871.00 48.73 6 C ATOM 1152 CG LYS B 147 17.377 0.973 14.945 1.00 50.24 6 CATOM 1153 CD LYS B 147 18.689 1.254 15.705 1.00 50.76 6 C ATOM 1154 CELYS B 147 18.419 1.909 17.044 1.00 51.95 6 C ATOM 1155 NZ LYS B 14719.650 1.717 17.898 1.00 56.98 7 N ATOM 1156 N HIS B 148 16.481 2.31611.566 1.00 52.09 7 N ATOM 1157 CA HIS B 148 15.725 3.560 11.364 1.0049.25 6 C ATOM 1158 C HIS B 148 14.849 3.550 10.121 1.00 48.50 6 C ATOM1159 O HIS B 148 14.448 4.608 9.636 1.00 47.26 8 O ATOM 1160 CB HIS B148 16.712 4.750 11.304 1.00 46.10 6 C ATOM 1161 CG HIS B 148 17.4244.879 12.623 1.00 41.85 6 C ATOM 1162 ND1 HIS B 148 16.847 5.506 13.6901.00 42.90 7 N ATOM 1163 CD2 HIS B 148 18.613 4.482 13.049 1.00 41.74 6C ATOM 1164 CE1 HIS B 148 17.678 5.486 14.745 1.00 43.19 6 C ATOM 1165NE2 HIS B 148 18.774 4.855 14.353 1.00 43.09 7 N ATOM 1166 N GLY B 14914.583 2.348 9.559 1.00 45.98 7 N ATOM 1167 CA GLY B 149 13.724 2.3368.392 1.00 46.52 6 C ATOM 1168 C GLY B 149 14.280 2.707 7.052 1.00 47.206 C ATOM 1169 O GLY B 149 13.435 2.950 6.183 1.00 48.67 8 O ATOM 1170 NLEU B 150 15.572 2.794 6.876 1.00 46.03 7 N ATOM 1171 CA LEU B 15016.104 3.168 5.568 1.00 46.32 6 C ATOM 1172 C LEU B 150 16.706 1.8824.992 1.00 47.26 6 C ATOM 1173 O LEU B 150 16.355 0.880 5.620 1.00 48.538 O ATOM 1174 CB LEU B 150 17.148 4.279 5.762 1.00 44.83 6 C ATOM 1175CG LEU B 150 16.748 5.576 6.428 1.00 44.34 6 C ATOM 1176 CD1 LEU B 15017.903 6.303 7.072 1.00 45.87 6 C ATOM 1177 CD2 LEU B 150 15.983 6.4905.527 1.00 43.42 6 C ATOM 1178 N SER B 151 17.500 1.814 3.941 1.00 46.487 N ATOM 1179 CA SER B 151 18.093 0.551 3.484 1.00 47.24 6 C ATOM 1180 CSER B 151 19.518 0.736 2.950 1.00 47.78 6 C ATOM 1181 O SER B 151 19.8521.843 2.539 1.00 51.22 8 O ATOM 1182 CB SER B 151 17.232 −0.203 2.5201.00 44.47 6 C ATOM 1183 CG SER B 151 16.836 0.577 1.408 1.00 44.70 8 OATOM 1184 N GLY B 152 20.402 −0.214 2.970 1.00 43.86 7 N ATOM 1185 CAGLY B 152 21.765 −0.145 2.465 1.00 46.38 6 C ATOM 1186 C GLY B 15222.101 −1.397 1.633 1.00 48.12 6 C ATOM 1187 O GLY B 152 21.290 −2.3151.627 1.00 47.50 8 O ATOM 1188 N SER B 153 23.194 −1.440 0.890 1.0049.94 7 N ATOM 1189 CA SER B 153 23.667 −2.546 0.067 1.00 50.27 6 C ATOM1190 C SER B 153 25.115 −2.318 −0.290 1.00 52.71 6 C ATOM 1191 O SER B153 25.577 −1.162 −0.234 1.00 57.22 8 O ATOM 1192 CB SER B 153 22.824−2.849 −1.153 1.00 48.63 6 C ATOM 1193 OG SER B 153 22.566 −1.664 −1.8831.00 47.38 8 O ATOM 1194 N VAL B 154 25.901 −3.322 −0.596 1.00 54.95 7 NATOM 1195 CA VAL B 154 27.336 −3.116 −0.887 1.00 54.88 6 C ATOM 1196 CVAL B 154 27.617 −3.139 −2.367 1.00 55.13 6 C ATOM 1197 O VAL B 15426.864 −3.703 −3.163 1.00 53.23 8 O ATOM 1198 CB VAL B 154 28.212 −4.159−0.190 1.00 55.62 6 C ATOM 1199 CG1 VAL B 154 29.612 −3.586 0.003 1.0056.32 6 C ATOM 1200 CG2 VAL B 154 27.692 −4.574 1.188 1.00 56.49 6 CATOM 1201 N VAL B 155 28.670 −2.472 −2.846 1.00 55.15 7 N ATOM 1202 CAVAL B 155 28.984 −2.478 −4.288 1.00 52.00 6 C ATOM 1203 C VAL B 15530.449 −2.854 −4.407 1.00 55.08 6 C ATOM 1204 O VAL B 155 30.998 −2.354−3.398 1.00 54.21 8 O ATOM 1205 CB VAL B 155 28.940 −1.031 −4.768 1.0050.77 6 C ATOM 1206 CG1 VAL B 155 29.469 −0.843 −6.184 1.00 47.68 6 CATOM 1207 CG2 VAL B 155 27.525 −0.520 −4.579 1.00 48.00 6 C ATOM 1208 NARG B 156 31.082 −3.547 −5.434 1.00 57.38 7 N ATOM 1209 CA ARG B 15632.555 −3.565 −5.049 1.00 55.68 6 C ATOM 1210 C ARG B 156 33.447 −2.756−5.919 1.00 53.31 6 C ATOM 1211 O ARG B 156 33.120 −2.361 −7.051 1.0056.50 8 O ATOM 1212 CB ARG B 156 33.150 −4.854 −4.569 1.00 56.87 6 CATOM 1213 CG ARG B 156 32.504 −5.541 −3.382 1.00 52.67 6 C ATOM 1214 CDARG B 156 33.295 −6.889 −3.023 0.00 25.00 6 C ATOM 1215 NE ARG B 15634.550 −6.503 −2.386 0.00 25.00 7 N ATOM 1216 CZ ARG B 156 35.487 −7.364−2.001 0.00 25.00 6 C ATOM 1217 NH1 ARG B 156 35.312 −8.663 −2.191 0.0025.00 7 N ATOM 1218 NH2 ARG B 156 36.599 −6.920 −1.430 0.00 25.00 7 NATOM 1219 N LEU B 157 34.486 −2.736 −4.703 0.00 25.00 7 N ATOM 1220 CALEU B 157 35.407 −1.837 −5.405 0.00 25.00 6 C ATOM 1221 C LEU B 15736.850 −2.394 −5.449 0.00 25.00 6 C ATOM 1222 O LEU B 157 37.217 −3.171−4.565 0.00 25.00 8 O ATOM 1223 CB LEU B 157 35.591 −0.511 −4.699 0.0025.00 6 C ATOM 1224 CG LEU B 157 34.618 0.306 −3.909 0.00 25.00 6 C ATOM1225 CD1 LEU B 157 35.436 1.147 −2.911 0.00 25.00 6 C ATOM 1226 CD2 LEUB 157 33.802 1.251 −4.802 0.00 25.00 6 C ATOM 1227 N GLU B 158 37.627−1.922 −6.442 0.00 25.00 7 N ATOM 1228 CA GLU B 158 39.029 −2.353 −6.5180.00 25.00 6 C ATOM 1229 C GLU B 158 40.049 −1.289 −6.954 0.00 25.00 6 CATOM 1230 O GLU B 158 41.197 −1.281 −6.481 0.00 25.00 8 O ATOM 1231 CBGLU B 158 39.250 −3.521 −7.519 0.00 25.00 6 C ATOM 1232 CG GLU B 15838.759 −4.665 −7.077 0.00 25.00 6 C ATOM 1233 CD GLU B 158 39.008 −5.794−8.067 0.00 25.00 6 C ATOM 1234 OE1 GLU B 158 39.498 −5.518 −9.182 0.0025.00 8 O ATOM 1235 OE2 GLU B 158 38.709 −6.962 −7.725 0.00 25.00 8 OATOM 1236 N LYS B 159 39.673 −0.415 −7.891 0.00 25.00 7 N ATOM 1237 CALYS B 159 40.600 0.575 −8.425 0.00 25.00 6 C ATOM 1238 C LYS B 15940.434 1.919 −7.724 0.00 25.00 6 C ATOM 1239 O LYS B 159 41.274 2.808−8.005 0.00 25.00 8 O ATOM 1240 CB LYS B 159 40.399 0.740 −9.933 0.0025.00 6 C ATOM 1241 CG LYS B 159 40.782 −0.485 −10.747 0.00 25.00 6 CATOM 1242 CD LYS B 159 40.558 −0.254 −12.232 0.00 25.00 6 C ATOM 1243 CELYS B 159 40.940 −1.479 −13.046 0.00 25.00 6 C ATOM 1244 NZ LYS B 15940.726 −1.266 −14.505 0.00 25.00 7 N ATOM 1245 N VAL B 160 39.386 2.069−6.890 0.00 25.00 7 N ATOM 1246 CA VAL B 160 39.288 3.395 −6.269 0.0025.00 6 C ATOM 1247 C VAL B 160 39.276 3.316 −4.735 0.00 25.00 6 C ATOM1248 O VAL B 160 38.902 2.289 −4.154 0.00 25.00 8 O ATOM 1249 CB VAL B160 38.134 4.261 −6.791 0.00 25.00 6 C ATOM 1250 CG1 VAL B 160 38.6425.113 −7.964 0.00 25.00 6 C ATOM 1251 CG2 VAL B 160 36.906 3.427 −7.1610.00 25.00 6 C ATOM 1252 N LEU B 161 39.695 4.458 −4.153 0.00 25.00 7 NATOM 1253 CA LEU B 161 39.745 4.444 −2.696 0.00 25.00 6 C ATOM 1254 CLEU B 161 38.343 4.411 −2.098 0.00 25.00 6 C ATOM 1255 O LEU B 16138.074 3.737 −1.097 0.00 25.00 8 O ATOM 1256 CB LEU B 161 40.511 5.660−2.173 0.00 25.00 6 C ATOM 1257 CG LEU B 161 41.998 5.729 −2.529 0.0025.00 6 C ATOM 1258 CD1 LEU B 161 42.600 7.050 −2.076 0.00 25.00 6 CATOM 1259 CD2 LEU B 161 42.764 4.602 −1.853 0.00 25.00 6 C ATOM 1260 NHIS B 162 37.559 4.933 −2.633 1.00 52.56 7 N ATOM 1261 CA HIS B 16236.220 5.320 −2.212 1.00 54.49 6 C ATOM 1262 C HIS B 162 35.194 5.133−3.348 1.00 52.36 6 C ATOM 1263 O HIS B 162 35.531 5.227 −4.513 1.0050.07 8 O ATOM 1264 CB HIS B 162 36.041 6.746 −1.701 1.00 58.47 6 C ATOM1265 CG HIS B 162 36.592 7.109 −0.361 1.00 62.11 6 C ATOM 1266 ND1 HIS B162 36.835 8.400 0.060 1.00 62.70 7 N ATOM 1267 CD2 HIS B 162 36.9546.317 0.673 1.00 63.47 6 C ATOM 1268 CE1 HIS B 162 37.323 8.375 1.2941.00 63.10 6 C ATOM 1269 NE2 HIS B 162 37.403 7.136 1.686 1.00 62.82 7 NATOM 1270 N LEU B 163 33.940 4.880 −3.005 1.00 50.09 7 N ATOM 1271 CALEU B 163 32.947 4.713 −4.072 1.00 48.67 6 C ATOM 1272 C LEU B 16332.824 6.011 −4.819 1.00 48.94 6 C ATOM 1273 O LEU B 163 32.860 6.171−6.052 1.00 51.81 8 O ATOM 1274 CB LEU B 163 31.638 4.314 −3.398 1.0048.84 6 C ATOM 1275 CG LEU B 163 30.359 4.101 −4.229 1.00 48.55 6 C ATOM1276 CD1 LEU B 163 30.364 2.786 −4.972 1.00 43.41 6 C ATOM 1277 CD2 LEUB 163 29.161 4.172 −3.284 1.00 45.08 6 C ATOM 1278 N LYS B 164 32.6867.109 −4.071 1.00 47.99 7 N ATOM 1279 CA LYS B 164 32.450 8.452 −4.6261.00 46.06 6 C ATOM 1280 C LYS B 164 33.584 9.062 −5.380 1.00 46.34 6 CATOM 1281 O LYS B 164 33.432 10.123 −6.011 1.00 47.44 8 O ATOM 1282 CBLYS B 164 31.754 9.297 −3.552 1.00 45.20 6 C ATOM 1283 CG LYS B 16430.355 8.675 −3.339 1.00 46.17 6 C ATOM 1284 CD LYS B 164 29.218 9.472−2.730 1.00 42.78 6 C ATOM 1285 CE LYS B 164 29.771 10.218 −1.514 1.0042.61 6 C ATOM 1286 NZ LYS B 164 28.804 10.670 −0.482 1.00 38.08 7 NATOM 1287 N THR B 165 34.725 8.395 −5.411 1.00 44.07 7 N ATOM 1288 CATHR B 165 35.785 8.905 −6.255 1.00 43.47 6 C ATOM 1289 C THR B 16535.181 8.737 −7.637 1.00 44.45 6 C ATOM 1290 O THR B 165 35.205 9.677−8.450 1.00 48.41 8 O ATOM 1291 CB THR B 165 37.024 8.067 −5.978 1.0044.53 6 C ATOM 1292 OG1 THR B 165 37.305 8.284 −4.588 1.00 46.53 8 OATOM 1293 CG2 THR B 165 38.196 8.433 −6.848 1.00 45.02 6 C ATOM 1294 NGLY B 166 34.598 7.611 −8.015 1.00 44.45 7 N ATOM 1295 CA GLY B 16634.013 7.458 −9.344 1.00 45.59 6 C ATOM 1296 C GLY B 166 32.556 7.610−9.596 1.00 47.19 6 C ATOM 1297 O GLY B 166 32.087 7.413 −10.749 1.0051.07 8 O ATOM 1298 N LEU B 167 31.692 8.018 −8.633 1.00 46.82 7 N ATOM1299 CA LEU B 167 30.264 8.179 −8.922 1.00 41.85 6 C ATOM 1300 C LEU B167 29.683 9.385 −8.211 1.00 41.55 6 C ATOM 1301 O LEU B 167 30.2999.806 −7.237 1.00 45.19 8 O ATOM 1302 CB LEU B 167 29.401 7.074 −8.2531.00 41.52 6 C ATOM 1303 CG LEU B 167 29.463 5.666 −8.785 1.00 39.71 6 CATOM 1304 CD1 LEU B 167 29.165 4.592 −7.794 1.00 37.38 6 C ATOM 1305 CD2LEU B 167 28.434 5.548 −9.911 1.00 43.45 6 C ATOM 1306 N ALA B 16828.487 9.801 −8.618 1.00 37.23 7 N ATOM 1307 CA ALA B 168 27.843 10.915−7.992 1.00 32.18 6 C ATOM 1308 C ALA B 168 26.359 10.897 −8.395 1.0034.79 6 C ATOM 1309 O ALA B 168 26.038 10.939 −9.603 1.00 34.61 8 O ATOM1310 CB ALA B 168 28.421 12.258 −8.383 1.00 32.00 6 C ATOM 1311 N TYR B169 25.496 10.858 −7.370 1.00 31.50 7 N ATOM 1312 CA TYR B 169 24.07810.830 −7.643 1.00 32.04 6 C ATOM 1313 C TYR B 169 23.625 12.249 −7.6541.00 34.26 6 C ATOM 1314 O TYR B 169 23.795 12.948 −6.626 1.00 36.38 8 OATOM 1315 CB TYR B 169 23.268 10.180 −6.490 1.00 35.64 6 C ATOM 1316 CGTYR B 169 21.803 10.136 −6.824 1.00 34.75 6 C ATOM 1317 CD1 TYR B 16921.447 9.658 −8.112 1.00 36.15 6 C ATOM 1318 CD2 TYR B 169 20.806 10.517−5.986 1.00 33.59 6 C ATOM 1319 CE1 TYR B 169 20.142 9.577 −8.521 1.0032.27 6 C ATOM 1320 CE2 TYR B 169 19.491 10.448 −6.373 1.00 33.06 6 CATOM 1321 CZ TYR B 169 19.174 9.981 −7.624 1.00 31.84 6 C ATOM 1322 OHTYR B 169 17.850 9.924 −7.974 1.00 33.37 8 O ATOM 1323 N LEU B 17023.029 12.715 −8.747 1.00 34.58 7 N ATOM 1324 CA LEU B 170 22.617 14.100−8.800 1.00 32.70 6 C ATOM 1325 C LEU B 170 21.161 14.323 −8.677 1.0033.53 6 C ATOM 1326 O LEU B 170 20.636 15.383 −9.119 1.00 35.20 8 O ATOM1327 CB LEU B 170 23.158 14.816 −10.045 1.00 32.24 6 C ATOM 1328 CG LEUB 170 24.695 14.707 −10.225 1.00 33.05 6 C ATOM 1329 CD1 LEU B 17024.981 15.327 −11.589 1.00 31.64 6 C ATOM 1330 CD2 LEU B 170 25.52215.275 −9.107 1.00 24.18 6 C ATOM 1331 N GLU B 171 20.541 13.354 −8.0111.00 36.79 7 N ATOM 1332 CA GLU B 171 19.084 13.393 −7.856 1.00 38.36 6C ATOM 1333 C GLU B 171 18.466 13.189 −9.252 1.00 41.79 6 C ATOM 1334 OGLU B 171 18.947 13.238 −10.375 1.00 39.49 8 O ATOM 1335 CB GLU B 17118.562 14.650 −7.200 1.00 35.96 6 C ATOM 1336 CG GLU B 171 18.971 14.890−5.768 1.00 37.63 6 C ATOM 1337 CD GLU B 171 18.696 13.699 −4.871 1.0039.41 6 C ATOM 1338 OE1 GLU B 171 17.513 13.227 −4.838 1.00 36.67 8 OATOM 1339 OE2 GLU B 171 19.652 13.251 −4.214 1.00 42.60 8 O ATOM 1340 NHIS B 172 17.157 12.898 −9.334 1.00 47.10 7 N ATOM 1341 CA HIS B 17216.367 12.707 −10.541 1.00 49.24 6 C ATOM 1342 C HIS B 172 16.812 11.508−11.364 1.00 51.04 6 C ATOM 1343 O HIS B 172 16.782 11.369 −12.604 1.0053.68 8 O ATOM 1344 CB HIS B 172 16.479 14.022 −11.365 1.00 49.14 6 CATOM 1345 CG HIS B 172 16.044 15.236 −10.584 1.00 47.23 6 C ATOM 1346ND1 HIS B 172 14.832 15.400 −10.038 1.00 46.91 7 N ATOM 1347 CD2 HIS B172 16.719 16.369 −10.265 1.00 45.53 6 C ATOM 1348 CE1 HIS B 172 14.74916.573 −9.407 1.00 46.65 6 C ATOM 1349 NE2 HIS B 172 15.921 17.190−9.543 1.00 44.49 7 N ATOM 1350 N ASN B 173 17.394 10.524 −10.697 1.0050.07 7 N ATOM 1351 CA ASN B 173 17.913 9.329 −11.339 1.00 51.48 6 CATOM 1352 C ASN B 173 19.106 9.640 −12.202 1.00 47.82 6 C ATOM 1353 OASN B 173 19.653 8.758 −12.843 1.00 50.44 8 O ATOM 1354 CB ASN B 17316.813 8.582 −12.104 1.00 55.02 6 C ATOM 1355 CG ASN B 173 17.007 7.081−11.926 1.00 59.02 6 C ATOM 1356 OD1 ASN B 173 18.019 6.462 −12.212 1.0059.24 8 O ATOM 1357 ND2 ASN B 173 15.957 6.455 −11.409 1.00 63.60 7 NATOM 1358 N ASN B 174 19.636 10.826 −12.167 1.00 46.41 7 N ATOM 1359 CAASN B 174 20.826 11.232 −12.876 1.00 47.11 6 C ATOM 1360 C ASN B 17422.038 10.719 −12.095 1.00 44.22 6 C ATOM 1361 O ASN B 174 22.076 10.892−10.902 1.00 45.66 8 O ATOM 1362 CB ASN B 174 20.846 12.755 −13.090 1.0047.08 6 C ATOM 1363 CG ASN B 174 19.692 13.186 −13.983 1.00 49.01 6 CATOM 1364 OD1 ASN B 174 19.582 12.477 −15.004 1.00 51.12 8 O ATOM 1365ND2 ASN B 174 18.922 14.209 −13.657 1.00 46.23 7 N ATOM 1366 N LEU B 17522.989 10.074 −12.735 1.00 42.95 7 N ATOM 1367 CA LEU B 175 24.152 9.623−11.997 1.00 41.94 6 C ATOM 1368 C LEU B 175 25.403 9.700 −12.831 1.0043.63 6 C ATOM 1369 O LEU B 175 25.401 9.071 −13.896 1.00 50.53 8 O ATOM1370 CB LEU B 175 23.908 8.236 −11.460 1.00 40.84 6 C ATOM 1371 CG LEU B175 25.137 7.535 −10.971 1.00 42.62 6 C ATOM 1372 CD1 LEU B 175 24.9766.760 −9.709 1.00 42.82 6 C ATOM 1373 CD2 LEU B 175 25.447 6.523 −12.1081.00 47.08 6 C ATOM 1374 N LEU B 176 26.424 10.393 −12.369 1.00 40.42 7N ATOM 1375 CA LEU B 176 27.712 10.476 −12.989 1.00 39.12 6 C ATOM 1376C LEU B 176 28.497 9.196 −12.713 1.00 40.42 6 C ATOM 1377 O LEU B 17628.381 8.701 −11.569 1.00 41.65 8 O ATOM 1378 CB LEU B 176 28.507 11.637−12.394 1.00 37.03 6 C ATOM 1379 CG LEU B 176 27.933 13.041 −12.528 1.0035.10 6 C ATOM 1380 CD1 LEU B 176 29.054 14.032 −12.302 1.00 35.04 6 CATOM 1381 CD2 LEU B 176 27.208 13.356 −13.814 1.00 33.65 6 C ATOM 1382 NALA B 177 29.269 8.699 −13.693 1.00 43.13 7 N ATOM 1383 CA ALA B 17730.026 7.455 −13.443 1.00 45.69 6 C ATOM 1384 C ALA B 177 31.299 7.396−14.270 1.00 48.44 6 C ATOM 1385 O ALA B 177 31.232 7.820 −15.430 1.0053.06 8 O ATOM 1386 CB ALA B 177 29.267 6.165 −13.754 1.00 39.09 6 CATOM 1387 N ALA B 178 32.328 6.845 −13.678 1.00 49.97 7 N ATOM 1388 CAALA B 178 33.614 6.714 −14.328 1.00 53.79 6 C ATOM 1389 C ALA B 17834.432 5.484 −13.949 1.00 57.76 6 C ATOM 1390 O ALA B 178 34.658 5.243−12.729 1.00 61.29 8 O ATOM 1391 CB ALA B 178 34.422 7.922 −13.784 1.0048.20 6 C ATOM 1392 N GLY B 179 34.997 4.767 −14.919 1.00 59.84 7 N ATOM1393 CA GLY B 179 35.857 3.601 −14.619 1.00 59.80 6 C ATOM 1394 C GLY B179 34.977 2.381 −14.325 1.00 60.32 6 C ATOM 1395 O GLY B 179 33.9422.252 −14.995 1.00 60.67 8 O ATOM 1396 N GLU B 180 35.370 1.556 −13.3451.00 59.69 7 N ATOM 1397 CA GLU B 180 34.513 0.409 −13.032 1.00 61.12 6C ATOM 1398 C GLU B 180 33.057 0.792 −13.020 1.00 59.99 6 C ATOM 1399 OGLU B 180 32.323 0.462 −13.939 1.00 65.83 8 O ATOM 1400 CB GLU B 18034.746 −0.294 −11.693 1.00 63.18 6 C ATOM 1401 CG GLU B 180 35.928 0.165−10.933 1.00 68.29 6 C ATOM 1402 CD GLU B 180 36.335 −0.341 −9.582 1.0071.72 6 C ATOM 1403 OE1 GLU B 180 35.618 −1.117 −8.889 1.00 73.73 8 OATOM 1404 OE2 GLU B 180 37.477 0.102 −9.224 1.00 72.41 8 O ATOM 1405 NPHE B 181 32.451 1.538 −12.136 1.00 57.73 7 N ATOM 1406 CA PHE B 18131.030 1.887 −12.148 1.00 53.86 6 C ATOM 1407 C PHE B 181 30.346 2.204−13.437 1.00 52.34 6 C ATOM 1408 O PHE B 181 29.092 2.289 −13.351 1.0055.27 8 O ATOM 1409 CB PHE B 181 30.723 3.063 −11.176 1.00 48.61 6 CATOM 1410 CG PHE B 181 31.653 2.968 −10.006 1.00 44.43 6 C ATOM 1411 CD1PHE B 181 32.711 3.801 −9.846 1.00 43.88 6 C ATOM 1412 CD2 PHE B 18131.408 1.987 −9.069 1.00 44.07 6 C ATOM 1413 CE1 PHE B 181 33.539 3.686−8.759 1.00 44.19 6 C ATOM 1414 CE2 PHE B 181 32.216 1.833 −7.968 1.0041.53 6 C ATOM 1415 CZ PHE B 181 33.270 2.696 −7.840 1.00 44.97 6 C ATOM1416 N VAL B 182 30.915 2.410 −14.587 1.00 54.60 7 N ATOM 1417 CA VAL B182 30.020 2.724 −15.726 1.00 58.86 6 C ATOM 1418 C VAL B 182 29.1951.478 −16.096 1.00 61.67 6 C ATOM 1419 O VAL B 182 27.995 1.643 −16.3641.00 61.18 8 O ATOM 1420 CB VAL B 182 30.727 3.292 −16.950 1.00 59.48 6C ATOM 1421 CG1 VAL B 182 29.693 3.662 −18.050 1.00 59.92 6 C ATOM 1422CG2 VAL B 182 31.546 4.513 −16.641 1.00 58.92 6 C ATOM 1423 N SER B 18329.792 0.274 −16.095 1.00 62.99 7 N ATOM 1424 CA SER B 183 29.000 −0.884−16.487 1.00 64.63 6 C ATOM 1425 C SER B 183 28.555 −1.748 −15.336 1.0066.35 6 C ATOM 1426 O SER B 183 28.003 −2.834 −15.571 1.00 68.41 8 OATOM 1427 CB SER B 183 29.717 −1.718 −17.551 1.00 66.30 6 C ATOM 1428 OGSER B 183 29.754 −0.980 −18.779 1.00 67.37 8 O ATOM 1429 N LYS B 18428.729 −1.328 −14.084 1.00 66.29 7 N ATOM 1430 CA LYS B 184 28.219−2.056 −12.899 1.00 62.80 6 C ATOM 1431 C LYS B 184 26.720 −2.304−13.053 1.00 59.93 6 C ATOM 1432 O LYS B 184 25.953 −1.424 −13.371 1.0059.75 8 O ATOM 1433 CB LYS B 184 28.446 −1.222 −11.642 1.00 61.88 6 CATOM 1434 CG LYS B 184 29.656 −1.020 −10.945 0.00 25.00 6 C ATOM 1435 CDLYS B 184 29.823 −2.244 −10.047 0.00 25.00 6 C ATOM 1436 CE LYS B 18431.200 −2.222 −9.369 0.00 25.00 6 C ATOM 1437 NZ LYS B 184 31.563 −3.640−9.110 0.00 25.00 7 N ATOM 1438 N PRO B 185 26.222 −3.520 −12.897 1.0060.33 7 N ATOM 1439 CA PRO B 185 24.826 −3.856 −13.073 1.00 59.56 6 CATOM 1440 C PRO B 185 23.857 −3.053 −12.209 1.00 59.48 6 C ATOM 1441 OPRO B 185 22.868 −2.443 −12.647 1.00 59.90 8 O ATOM 1442 CB PRO B 18524.723 −5.350 −12.744 1.00 57.96 6 C ATOM 1443 CG PRO B 185 26.107−5.834 −12.584 1.00 58.07 6 C ATOM 1444 CD PRO B 185 27.069 −4.705−12.516 1.00 58.46 6 C ATOM 1445 N GLU B 186 24.114 −2.954 −10.928 1.0057.94 7 N ATOM 1446 CA GLU B 186 23.426 −2.261 −9.877 1.00 57.15 6 CATOM 1447 C GLU B 186 22.988 −0.851 −10.212 1.00 55.79 6 C ATOM 1448 OGLU B 186 21.955 −0.331 −9.744 1.00 54.82 8 O ATOM 1449 CB GLU B 18624.348 −2.336 −8.630 1.00 58.99 6 C ATOM 1450 CG GLU B 186 25.747 −2.815−9.021 1.00 63.74 6 C ATOM 1451 CD GLU B 186 26.619 −3.383 −7.942 1.0066.02 6 C ATOM 1452 OE1 GLU B 186 26.369 −3.147 −6.737 1.00 67.71 8 OATOM 1453 OE2 GLU B 186 27.610 −4.105 −8.200 1.00 68.32 8 O ATOM 1454 NPHE B 187 23.654 −0.125 −11.085 1.00 53.74 7 N ATOM 1455 CA PHE B 18723.308 1.258 −11.410 1.00 54.01 6 C ATOM 1456 C PHE B 187 22.751 1.413−12.804 1.00 58.29 6 C ATOM 1457 O PHE B 187 22.825 2.457 −13.454 1.0057.88 8 O ATOM 1458 CB PHE B 187 24.630 2.076 −11.275 1.00 46.99 6 CATOM 1459 CG PHE B 187 25.285 1.983 −9.910 1.00 39.17 6 C ATOM 1460 CD1PHE B 187 26.618 1.771 −9.807 1.00 40.00 6 C ATOM 1461 CD2 PHE B 18724.589 2.098 −8.753 1.00 34.80 6 C ATOM 1462 CE1 PHE B 187 27.325 1.667−8.612 1.00 38.87 6 C ATOM 1463 CE2 PHE B 187 25.174 2.010 −7.542 1.0037.00 6 C ATOM 1464 CZ PHE B 187 26.554 1.793 −7.458 1.00 40.19 6 C ATOM1465 N GLN B 188 22.146 0.309 −13.283 1.00 63.83 7 N ATOM 1466 CA GLN B188 21.752 0.429 −14.712 1.00 66.35 6 C ATOM 1467 C GLN B 188 20.4100.985 −15.032 1.00 66.04 6 C ATOM 1468 O GLN B 188 20.089 1.394 −16.1571.00 66.83 8 O ATOM 1469 CB GLN B 188 22.189 −0.895 −15.350 1.00 68.62 6C ATOM 1470 CG GLN B 188 23.689 −1.067 −15.148 1.00 71.58 6 C ATOM 1471CD GLN B 188 24.629 −0.144 −15.882 1.00 73.82 6 C ATOM 1472 OE1 GLN B188 24.350 0.299 −17.013 1.00 76.62 8 O ATOM 1473 NE2 GLN B 188 25.7800.184 −15.283 1.00 73.31 7 N ATOM 1474 N ASP B 189 19.596 1.134 −13.9791.00 64.23 7 N ATOM 1475 CA ASP B 189 18.262 1.729 −14.206 1.00 62.39 6C ATOM 1476 C ASP B 189 18.381 3.237 −14.006 1.00 60.70 6 C ATOM 1477 OASP B 189 17.425 3.992 −13.974 1.00 61.73 8 O ATOM 1478 CB ASP B 18917.240 0.990 −13.530 0.00 25.00 6 C ATOM 1479 CG ASP B 189 17.091 −0.442−14.024 0.00 25.00 6 C ATOM 1480 OD1 ASP B 189 17.760 −0.849 −15.0070.00 25.00 8 O ATOM 1481 OD2 ASP B 189 16.276 −1.163 −13.397 0.00 25.008 O ATOM 1482 N PHE B 190 19.581 3.760 −13.833 1.00 60.13 7 N ATOM 1483CA PHE B 190 19.906 5.158 −13.737 1.00 56.59 6 C ATOM 1484 C PHE B 19020.248 5.692 −15.148 1.00 53.53 6 C ATOM 1485 O PHE B 190 20.494 4.896−16.046 1.00 53.48 8 O ATOM 1486 CB PHE B 190 21.178 5.393 −12.912 1.0054.25 6 C ATOM 1487 CG PHE B 190 20.925 5.180 −11.448 1.00 54.63 6 CATOM 1488 CD1 PHE B 190 21.227 3.954 −10.881 1.00 54.20 6 C ATOM 1489CD2 PHE B 190 20.397 6.152 −10.607 1.00 52.87 6 C ATOM 1490 CE1 PHE B190 21.055 3.604 −9.573 1.00 50.19 6 C ATOM 1491 CE2 PHE B 190 20.2075.851 −9.288 1.00 51.39 6 C ATOM 1492 CZ PHE B 190 20.523 4.617 −8.7791.00 52.70 6 C ATOM 1493 N ASN B 191 20.291 7.002 −15.240 1.00 49.84 7 NATOM 1494 CA ASN B 191 20.726 7.692 −16.419 1.00 48.81 6 C ATOM 1495 CASN B 191 22.234 7.862 −16.266 1.00 48.38 6 C ATOM 1496 O ASN B 19122.792 8.893 −15.915 1.00 50.30 8 O ATOM 1497 CB ASN B 191 20.022 9.042−16.507 1.00 51.57 6 C ATOM 1498 CG ASN B 191 20.431 9.757 −17.791 1.0053.47 6 C ATOM 1499 OD1 ASN B 191 20.972 9.056 −18.638 1.00 56.99 8 OATOM 1500 ND2 ASN B 191 20.226 11.056 −18.004 1.00 54.56 7 N ATOM 1501 NILE B 192 23.059 6.843 −16.427 1.00 49.43 7 N ATOM 1502 CA ILE B 19224.488 6.954 −16.317 1.00 48.17 6 C ATOM 1503 C ILE B 192 24.824 8.115−17.243 1.00 50.31 6 C ATOM 1504 O ILE B 192 24.158 8.480 −18.218 1.0048.57 8 O ATOM 1505 CB ILE B 192 25.159 5.645 −16.646 1.00 48.06 6 CATOM 1506 CG1 ILE B 192 24.898 4.596 −15.525 1.00 46.61 6 C ATOM 1507CG2 ILE B 192 26.636 5.910 −16.909 1.00 47.40 6 C ATOM 1508 CD1 ILE B192 25.321 3.196 −15.975 1.00 47.78 6 C ATOM 1509 N ILE B 193 25.7968.869 −16.819 1.00 53.89 7 N ATOM 1510 CA ILE B 193 26.445 10.029−17.356 1.00 54.78 6 C ATOM 1511 C ILE B 193 27.879 9.512 −17.210 1.0059.31 6 C ATOM 1512 O ILE B 193 28.555 8.796 −16.468 1.00 59.52 8 O ATOM1513 CB ILE B 193 26.422 11.344 −16.638 1.00 54.82 6 C ATOM 1514 CG1 ILEB 193 24.952 11.507 −16.173 1.00 55.15 6 C ATOM 1515 CG2 ILE B 19326.845 12.557 −17.438 1.00 53.20 6 C ATOM 1516 CD1 ILE B 193 23.95712.086 −17.099 1.00 54.70 6 C ATOM 1517 N GLU B 194 28.448 10.039−18.210 1.00 63.65 7 N ATOM 1518 CA GLU B 194 29.778 9.678 −18.611 1.0067.51 6 C ATOM 1519 C GLU B 194 30.897 10.573 −18.286 1.00 65.79 6 CATOM 1520 O GLU B 194 30.885 11.777 −18.519 1.00 70.27 8 O ATOM 1521 CBGLU B 194 29.500 9.658 −20.098 1.00 73.09 6 C ATOM 1522 CG GLU B 19428.357 8.685 −20.433 1.00 79.56 6 C ATOM 1523 CD GLU B 194 28.117 8.582−21.935 1.00 83.34 6 C ATOM 1524 OE1 GLU B 194 28.666 9.426 −22.708 1.0084.18 8 O ATOM 1525 OE2 GLU B 194 27.370 7.644 −22.347 1.00 84.63 8 OATOM 1526 N ILE B 195 31.816 9.871 −17.643 1.00 61.84 7 N ATOM 1527 CAILE B 195 32.965 10.691 −17.304 1.00 61.75 6 C ATOM 1528 C ILE B 19534.114 10.088 −18.131 1.00 62.34 6 C ATOM 1529 O ILE B 195 34.588 8.979−17.839 1.00 61.32 8 O ATOM 1530 CB ILE B 195 33.082 10.868 −15.813 1.0060.24 6 C ATOM 1531 CG1 ILE B 195 31.803 11.382 −15.151 1.00 58.99 6 CATOM 1532 CG2 ILE B 195 34.223 11.836 −15.518 1.00 59.34 6 C ATOM 1533CD1 ILE B 195 31.138 12.639 −15.670 1.00 56.46 6 C ATOM 1534 N PRO B 19634.464 10.915 −19.118 1.00 59.41 7 N ATOM 1535 CA PRO B 196 35.54810.578 −19.975 1.00 60.38 6 C ATOM 1536 C PRO B 196 36.765 10.373−19.094 1.00 62.48 6 C ATOM 1537 O PRO B 196 37.260 11.307 −18.467 1.0064.80 8 O ATOM 1538 CB PRO B 196 35.762 11.788 −20.850 1.00 61.13 6 CATOM 1539 CG PRO B 196 34.502 12.572 −20.782 1.00 62.01 6 C ATOM 1540 CDPRO B 196 33.910 12.256 −19.417 1.00 59.45 6 C ATOM 1541 N GLU B 19737.272 9.163 −19.082 1.00 62.41 7 N ATOM 1542 CA GLU B 197 38.408 8.765−18.326 1.00 61.74 6 C ATOM 1543 C GLU B 197 39.369 9.830 −17.851 1.0062.39 6 C ATOM 1544 O GLU B 197 40.019 9.693 −16.776 1.00 66.01 8 O ATOM1545 CB GLU B 197 39.232 7.731 −19.153 1.00 61.07 6 C ATOM 1546 CG GLU B197 38.416 6.432 −19.575 0.00 25.00 6 C ATOM 1547 CD GLU B 197 39.3115.409 −20.239 0.00 25.00 6 C ATOM 1548 OE1 GLU B 197 40.386 5.801−20.740 0.00 25.00 8 O ATOM 1549 OE2 GLU B 197 38.939 4.218 −20.257 0.0025.00 8 O ATOM 1550 N GLU B 198 39.667 10.910 −18.552 1.00 59.96 7 NATOM 1551 CA GLU B 198 40.701 11.811 −18.047 1.00 58.26 6 C ATOM 1552 CGLU B 198 40.197 13.149 −17.525 1.00 56.65 6 C ATOM 1553 O GLU B 19840.848 14.164 −17.283 1.00 52.93 8 O ATOM 1554 CB GLU B 198 41.77711.895 −19.106 1.00 59.96 6 C ATOM 1555 CG GLU B 198 42.339 10.218−19.160 0.00 25.00 6 C ATOM 1556 CD GLU B 198 42.778 9.823 −20.544 0.0025.00 6 C ATOM 1557 OE1 GLU B 198 42.808 10.706 −21.419 0.00 25.00 8 OATOM 1558 OE2 GLU B 198 43.131 8.640 −20.734 0.00 25.00 8 O ATOM 1559 NGLU B 199 38.891 13.080 −17.337 1.00 53.10 7 N ATOM 1560 CA GLU B 19938.034 14.002 −16.720 1.00 50.39 6 C ATOM 1561 C GLU B 199 37.470 13.172−15.565 1.00 50.04 6 C ATOM 1562 O GLU B 199 36.479 13.478 −14.923 1.0049.58 8 O ATOM 1563 CB GLU B 199 36.982 14.621 −17.635 1.00 54.37 6 CATOM 1564 CG GLU B 199 37.418 15.978 −18.189 1.00 56.19 6 C ATOM 1565 CDGLU B 199 36.305 16.836 −18.698 1.00 60.19 6 C ATOM 1566 OE1 GLU B 19935.115 16.713 −18.316 1.00 60.05 8 O ATOM 1567 OE2 GLU B 199 36.44717.759 −19.550 1.00 63.53 8 O ATOM 1568 N SER B 200 38.064 12.038−15.197 1.00 50.83 7 N ATOM 1569 CA SER B 200 37.597 11.154 −14.151 1.0047.31 6 C ATOM 1570 C SER B 200 37.374 11.877 −12.826 1.00 46.88 6 CATOM 1571 O SER B 200 36.276 11.721 −12.256 1.00 44.55 8 O ATOM 1572 CBSER B 200 38.564 9.997 −13.998 1.00 49.88 6 C ATOM 1573 OG SER B 20039.569 10.107 −12.991 1.00 53.63 8 O ATOM 1574 N TYR B 201 38.331 12.635−12.292 1.00 42.74 7 N ATOM 1575 CA TYR B 201 38.153 13.381 −11.068 1.0040.48 6 C ATOM 1576 C TYR B 201 36.801 14.072 −11.012 1.00 42.78 6 CATOM 1577 O TYR B 201 36.183 14.146 −9.955 1.00 41.39 8 O ATOM 1578 CBTYR B 201 39.088 14.601 −10.936 1.00 37.63 6 C ATOM 1579 CG TYR B 20139.167 15.286 −9.611 1.00 33.60 6 C ATOM 1580 CD1 TYR B 201 39.39514.635 −8.409 1.00 30.95 6 C ATOM 1581 CD2 TYR B 201 39.001 16.700−9.551 1.00 30.82 6 C ATOM 1582 CE1 TYR B 201 39.458 15.333 −7.204 1.0028.50 6 C ATOM 1583 CE2 TYR B 201 39.065 17.408 −8.383 1.00 26.77 6 CATOM 1584 CZ TYR B 201 39.295 16.724 −7.196 1.00 26.41 6 C ATOM 1585 OHTYR B 201 39.350 17.446 −6.030 1.00 24.65 8 O ATOM 1586 N ALA B 20236.260 14.605 −12.121 1.00 44.21 7 N ATOM 1587 CA ALA B 202 34.97615.261 −12.166 1.00 42.10 6 C ATOM 1588 C ALA B 202 33.831 14.329−11.907 1.00 43.50 6 C ATOM 1589 O ALA B 202 32.625 14.698 −11.928 1.0047.54 8 O ATOM 1590 CB ALA B 202 34.688 15.937 −13.489 1.00 42.96 6 CATOM 1591 N ALA B 203 34.051 13.068 −11.588 1.00 43.06 7 N ATOM 1592 CAALA B 203 32.902 12.216 −11.268 1.00 42.92 6 C ATOM 1593 C ALA B 20332.482 12.527 −9.830 1.00 41.28 6 C ATOM 1594 O ALA B 203 31.483 11.996−9.333 1.00 42.49 8 O ATOM 1595 CB ALA B 203 33.188 10.712 −11.423 1.0042.56 6 C ATOM 1596 N ASN B 204 33.238 13.277 −9.061 1.00 37.98 7 N ATOM1597 CA ASN B 204 32.886 13.645 −7.684 1.00 35.34 6 C ATOM 1598 C ASN B204 32.407 15.101 −7.790 1.00 34.62 6 C ATOM 1599 O ASN B 204 33.14816.070 −8.013 1.00 34.32 8 O ATOM 1600 CB ASN B 204 34.033 13.344 −6.7531.00 35.46 6 C ATOM 1601 CG ASN B 204 34.044 14.083 −5.463 1.00 38.66 6C ATOM 1602 OD1 ASN B 204 33.091 14.714 −5.040 1.00 38.32 8 O ATOM 1603ND2 ASN B 204 35.173 14.050 −4.738 1.00 41.78 7 N ATOM 1604 N CYS B 20531.099 15.227 −7.716 1.00 27.97 7 N ATOM 1605 CA CYS B 205 30.402 16.460−7.831 1.00 29.14 6 C ATOM 1606 C CYS B 205 29.297 16.419 −6.769 1.0028.62 6 C ATOM 1607 O CYS B 205 29.025 15.319 −6.420 1.00 28.89 8 O ATOM1608 CB CYS B 205 29.678 16.605 −9.204 1.00 26.33 6 C ATOM 1609 SG CYS B205 30.947 16.933 −10.481 1.00 35.46 16 S ATOM 1610 N ILE B 206 28.64117.504 −6.350 1.00 26.31 7 N ATOM 1611 CA ILE B 206 27.575 17.312 −5.4311.00 22.89 6 C ATOM 1612 C ILE B 206 26.420 18.180 −5.863 1.00 23.42 6 CATOM 1613 O ILE B 206 26.466 19.338 −6.337 1.00 26.59 8 O ATOM 1614 CBILE B 206 27.918 17.743 −4.002 1.00 27.58 6 C ATOM 1615 CG1 ILE B 20628.728 19.059 −4.027 1.00 27.92 6 C ATOM 1616 CG2 ILE B 206 28.71616.735 −3.216 1.00 28.55 6 C ATOM 1617 CD1 ILE B 206 28.658 19.887−2.826 1.00 28.37 6 C ATOM 1618 N TRP B 207 25.287 17.567 −5.660 1.0020.80 7 N ATOM 1619 CA TRP B 207 23.974 18.121 −5.899 1.00 21.62 6 CATOM 1620 C TRP B 207 23.600 18.855 −4.647 1.00 25.93 6 C ATOM 1621 OTRP B 207 23.653 18.328 −3.487 1.00 26.88 8 O ATOM 1622 CB TRP B 20722.962 17.076 −6.317 1.00 23.19 6 C ATOM 1623 CG TRP B 207 21.572 17.619−6.386 1.00 27.81 6 C ATOM 1624 CD1 TRP B 207 20.981 18.049 −7.520 1.0028.98 6 C ATOM 1625 CD2 TRP B 207 20.594 17.804 −5.320 1.00 28.79 6 CATOM 1626 NE1 TRP B 207 19.688 18.497 −7.250 1.00 31.38 7 N ATOM 1627CE2 TRP B 207 19.437 18.352 −5.891 1.00 28.76 6 C ATOM 1628 CE3 TRP B207 20.613 17.551 −3.935 1.00 27.53 6 C ATOM 1629 CZ2 TRP B 207 18.28918.668 −5.183 1.00 24.45 6 C ATOM 1630 CZ3 TRP B 207 19.475 17.852−3.190 1.00 29.18 6 C ATOM 1631 CH2 TRP B 207 18.310 18.414 −3.826 1.0025.51 6 C ATOM 1632 N VAL B 208 23.224 20.150 −4.755 1.00 27.07 7 N ATOM1633 CA VAL B 208 22.807 20.821 −3.538 1.00 25.26 6 C ATOM 1634 C VAL B208 21.586 21.661 −3.853 1.00 27.05 6 C ATOM 1635 O VAL B 208 21.78122.783 −4.266 1.00 26.98 8 O ATOM 1636 CB VAL B 208 23.828 21.736 −2.7851.00 25.03 6 C ATOM 1637 CG1 VAL B 208 23.144 22.221 −1.467 1.00 20.94 6C ATOM 1638 CG2 VAL B 208 25.098 21.016 −2.445 1.00 20.89 6 C ATOM 1639N ASN B 209 20.359 21.175 −3.650 1.00 27.42 7 N ATOM 1640 CA ASN B 20919.223 22.022 −3.881 1.00 27.77 6 C ATOM 1641 C ASN B 209 19.167 22.536−5.298 1.00 29.35 6 C ATOM 1642 O ASN B 209 18.687 23.650 −5.521 1.0031.67 8 O ATOM 1643 CB ASN B 209 18.950 23.149 −2.830 1.00 28.45 6 CATOM 1644 CG ASN B 209 18.980 22.659 −1.415 1.00 29.44 6 C ATOM 1645 OD1ASN B 209 18.763 21.448 −1.097 1.00 30.40 8 O ATOM 1646 ND2 ASN B 20919.253 23.531 −0.471 1.00 30.16 7 N ATOM 1647 N GLU B 210 19.513 21.707−6.281 1.00 33.04 7 N ATOM 1648 CA GLU B 210 19.375 21.974 −7.700 1.0036.06 6 C ATOM 1649 C GLU B 210 20.503 22.731 −8.348 1.00 38.43 6 C ATOM1650 O GLU B 210 20.401 23.002 −9.537 1.00 40.10 8 O ATOM 1651 CB GLU B210 18.000 22.497 −8.079 1.00 35.70 6 C ATOM 1652 CG GLU B 210 16.81921.674 −7.706 1.00 35.27 6 C ATOM 1653 CD GLU B 210 16.711 20.214 −8.0121.00 41.37 6 C ATOM 1654 OE1 GLU B 210 17.551 19.438 −8.499 1.00 44.61 8O ATOM 1655 OE2 GLU B 210 15.589 19.651 −7.739 1.00 46.00 8 O ATOM 1656N ARG B 211 21.593 22.959 −7.607 1.00 37.25 7 N ATOM 1657 CA ARG B 21122.788 23.491 −8.218 1.00 35.35 6 C ATOM 1658 C ARG B 211 23.671 22.249−8.049 1.00 36.22 6 C ATOM 1659 O ARG B 211 23.314 21.298 −7.283 1.0033.62 8 O ATOM 1660 CB ARG B 211 23.417 24.656 −7.487 1.00 37.24 6 CATOM 1661 CG ARG B 211 22.669 25.189 −6.335 1.00 33.96 6 C ATOM 1662 CDARG B 211 21.931 26.453 −6.516 1.00 36.55 6 C ATOM 1663 NE ARG B 21120.769 26.650 −5.666 1.00 33.87 7 N ATOM 1664 CZ ARG B 211 19.877 27.198−4.956 1.00 33.75 6 C ATOM 1665 NH1 ARG B 211 19.594 28.433 −4.572 1.0033.90 7 N ATOM 1666 MH2 ARG B 211 18.921 26.390 −4.403 1.00 34.54 7 NATOM 1667 N VAL B 212 24.840 22.276 −8.729 1.00 33.29 7 N ATOM 1668 CAVAL B 212 25.764 21.184 −8.641 1.00 25.67 6 C ATOM 1669 C VAL B 21227.160 21.833 −8.622 1.00 27.37 6 C ATOM 1670 O VAL B 212 27.548 22.580−9.546 1.00 25.09 8 O ATOM 1671 CB VAL B 212 25.662 20.246 −9.855 1.0025.34 6 C ATOM 1672 CG1 VAL B 212 26.625 19.055 −9.737 1.00 22.91 6 CATOM 1673 CG2 VAL B 212 24.298 19.689 −10.090 1.00 25.28 6 C ATOM 1674 NILE B 213 27.903 21.514 −7.523 1.00 26.12 7 N ATOM 1675 CA ILE B 21329.243 22.052 −7.397 1.00 24.04 6 C ATOM 1676 C ILE B 213 30.170 20.987−7.933 1.00 26.98 6 C ATOM 1677 O ILE B 213 30.113 19.868 −7.444 1.0029.90 8 O ATOM 1678 CB ILE B 213 29.506 22.432 −5.950 1.00 25.10 6 CATOM 1679 CG1 ILE B 213 28.393 23.410 −5.516 1.00 23.98 6 C ATOM 1680CG2 ILE B 213 30.861 23.078 −5.575 1.00 21.32 6 C ATOM 1681 CD1 ILE B213 28.353 23.508 −3.997 1.00 26.97 6 C ATOM 1682 N MET B 214 30.98521.315 −8.963 1.00 28.18 7 N ATOM 1683 CA MET B 214 31.926 20.356 −9.5441.00 28.81 6 C ATOM 1684 C MET B 214 33.304 20.986 −9.447 1.00 28.06 6 CATOM 1685 O MET B 214 33.431 22.211 −9.331 1.00 26.98 8 O ATOM 1686 CBMET B 214 31.301 20.225 −10.945 1.00 28.22 6 C ATOM 1687 CG MET B 21431.695 21.335 −11.926 1.00 34.38 6 C ATOM 1688 SD MET B 214 31.13720.931 −13.632 1.00 37.90 16 S ATOM 1689 CE MET B 214 32.236 19.556−13.964 1.00 26.63 6 C ATOM 1690 N PRO B 215 34.384 20.260 −9.498 1.0030.52 7 N ATOM 1691 CA PRO B 215 35.749 20.856 −9.538 1.00 31.42 6 CATOM 1692 C PRO B 215 35.814 21.645 −10.844 1.00 34.04 6 C ATOM 1693 OPRO B 215 35.038 21.210 −11.701 1.00 33.76 8 O ATOM 1694 CB PRO B 21536.674 19.692 −9.803 1.00 25.81 6 C ATOM 1695 CG PRO B 215 35.824 18.557−10.240 1.00 24.44 6 C ATOM 1696 CD PRO B 215 34.429 18.788 −9.682 1.0027.57 6 C ATOM 1697 N ALA B 216 36.608 22.707 −10.872 1.00 37.28 7 NATOM 1698 CA ALA B 216 36.711 23.420 −12.165 1.00 39.55 6 C ATOM 1699 CALA B 216 37.763 22.787 −13.054 1.00 38.16 6 C ATOM 1700 O ALA B 21638.692 22.179 −12.550 1.00 39.24 8 O ATOM 1701 CB ALA B 216 37.18024.860 −11.924 1.00 35.38 6 C ATOM 1702 N GLY B 217 37.763 23.908−14.358 1.00 43.03 7 N ATOM 1703 CA GLY B 217 38.772 22.480 −15.280 1.0042.21 6 O ATOM 1704 C GLY B 217 38.595 21.134 −15.920 1.00 40.83 6 CATOM 1705 O GLY B 217 39.502 20.412 −16.358 1.00 47.08 8 O ATOM 1706 NSER B 218 37.392 20.751 −16.117 1.00 38.83 7 N ATOM 1707 CA SER B 21836.801 19.543 −16.594 1.00 41.37 6 C ATOM 1708 C SER B 218 35.636 19.972−17.450 1.00 42.03 6 C ATOM 1709 O SER B 218 34.519 19.752 −17.092 1.0041.86 8 O ATOM 1710 CB SER B 218 36.418 18.736 −15.311 1.00 42.49 6 CATOM 1711 OG SER B 218 37.571 18.152 −14.611 1.00 44.64 8 O ATOM 1712 NPRO B 219 35.901 20.578 −18.626 1.00 45.51 7 N ATOM 1713 CA PRO B 21934.924 21.059 −19.559 1.00 44.25 6 C ATOM 1714 C PRO B 219 33.929 20.055−20.142 1.00 47.64 6 C ATOM 1715 O PRO B 219 32.749 20.409 −20.229 1.0046.90 8 O ATOM 1716 CB PRO B 219 35.752 21.493 −20.776 1.00 43.16 6 CATOM 1717 CG PRO B 219 37.160 21.490 −20.362 1.00 40.58 6 C ATOM 1718 CDPRO B 219 37.323 20.771 −19.131 1.00 41.32 6 C ATOM 1719 N ARG B 22034.415 18.900 −20.579 1.00 49.25 7 N ATOM 1720 CA ARG B 220 33.47017.932 −21.188 1.00 53.32 6 C ATOM 1721 C ARG B 220 32.435 17.755−20.102 1.00 54.00 6 C ATOM 1722 O ARG B 220 31.302 18.279 −20.279 1.0054.06 8 O ATOM 1723 CB ARG B 220 34.352 16.794 −21.695 1.00 56.85 6 CATOM 1724 CG ARG B 220 34.927 17.028 −23.088 1.00 60.15 6 C ATOM 1725 CDARG B 220 35.551 15.747 −23.650 1.00 64.80 6 C ATOM 1726 NE ARG B 22034.534 14.675 −23.687 1.00 68.90 7 N ATOM 1727 CZ ARG B 220 33.65214.544 −24.682 1.00 69.79 6 C ATOM 1728 NH1 ARG B 220 33.717 15.439−25.683 1.00 72.53 7 N ATOM 1729 NH2 ARG B 220 32.752 13.573 −24.6841.00 68.980 7 N ATOM 1730 N THR B 221 32.718 17.163 −18.899 1.00 50.81 7N ATOM 1731 CA THR B 221 31.669 17.139 −17.846 1.00 46.53 6 C ATOM 1732C THR B 221 30.840 18.384 −17.484 1.00 45.24 6 C ATOM 1733 O THR B 22129.599 18.182 −17.261 1.00 38.57 8 O ATOM 1734 CB THR B 221 32.31316.655 −16.564 1.00 46.37 6 C ATOM 1735 OG1 THR B 221 32.858 15.364−16.786 1.00 49.91 8 O ATOM 1736 CG2 THR B 221 31.377 16.470 −15.3861.00 45.72 6 C ATOM 1737 N ARG B 222 31.280 19.647 −17.274 1.00 44.87 7N ATOM 1738 CA ARG B 222 30.351 20.737 −16.974 1.00 45.37 6 C ATOM 1739C ARG B 222 29.242 20.739 −18.033 1.00 45.10 6 C ATOM 1740 O ARG B 22228.123 21.008 −17.589 1.00 46.01 8 O ATOM 1741 CB ARG B 222 30.93122.163 −17.015 1.00 47.21 6 C ATOM 1742 CG ARG B 222 29.997 23.276−16.557 1.00 51.54 6 C ATOM 1743 CD ARG B 222 30.366 24.685 −16.945 1.0054.20 6 C ATOM 1744 NE ARG B 222 29.218 25.622 −16.913 1.00 58.11 7 NATOM 1745 CZ ARG B 222 28.226 25.618 −17.817 1.00 59.44 6 C ATOM 1746NH1 ARG B 222 28.275 24.715 −18.807 1.00 62.59 7 N ATOM 1747 NH2 ARG B222 27.209 26.464 −17.773 1.00 59.29 7 N ATOM 1748 N GLU B 223 29.51120.569 −19.334 1.00 45.24 7 N ATOM 1749 CA GLU B 223 28.464 20.590−20.368 1.00 45.06 6 C ATOM 1750 C GLU B 223 27.606 19.340 −20.176 1.0046.26 6 C ATOM 1751 O GLU B 223 26.381 19.456 −20.025 1.00 45.82 8 OATOM 1752 CB GLU B 223 29.013 20.663 −21.799 1.00 48.10 6 C ATOM 1753 CGGLU B 223 29.778 21.915 −22.207 0.00 25.00 6 C ATOM 1754 CD GLU B 22328.909 23.156 −22.143 0.00 25.00 6 C ATOM 1755 OE1 GLU B 223 27.74323.087 −22.583 0.00 25.00 8 O ATOM 1756 OE2 GLU B 223 29.395 24.196−21.650 0.00 25.00 8 O ATOM 1757 N LYS B 224 28.213 18.125 −20.109 1.0047.12 7 N ATOM 1758 CA LYS B 224 27.315 16.975 −19.859 1.00 48.40 6 CATOM 1759 C LYS B 224 26.481 17.328 −18.623 1.00 50.64 6 C ATOM 1760 OLYS B 224 25.295 16.951 −18.657 1.00 52.79 8 O ATOM 1761 CB LYS B 22427.965 15.637 −19.788 1.00 49.30 6 C ATOM 1762 CC LYS B 224 29.01814.917 −20.589 1.00 50.38 6 C ATOM 1763 CD LYS B 224 29.232 13.311−20.822 0.00 25.00 6 C ATOM 1764 CE LYS B 224 30.487 12.882 −21.581 0.0025.00 6 C ATOM 1765 NZ LYS B 224 30.375 11.499 −22.128 0.00 25.00 7 NATOM 1766 N ILE B 225 26.954 17.991 −17.517 1.00 49.96 7 N ATOM 1767 CAILE B 225 26.019 18.313 −16.454 1.00 47.77 6 C ATOM 1768 C ILE B 22525.105 19.500 −16.744 1.00 46.18 6 C ATOM 1769 O ILE B 225 23.891 19.435−16.532 1.00 45.48 8 O ATOM 1770 CB ILE B 225 26.706 18.579 −15.104 1.0047.65 6 C ATOM 1771 CG1 ILE B 225 27.542 17.361 −14.703 1.00 47.20 6 CATOM 1772 CG2 ILE B 225 25.702 18.918 −13.985 1.00 45.10 6 C ATOM 1773CD1 ILE B 225 28.377 17.702 −13.458 1.00 42.77 6 C ATOM 1774 N ALA B 22625.534 20.686 −17.142 1.00 47.70 7 N ATOM 1775 CA ALA B 226 24.69121.864 −17.407 1.00 48.34 6 C ATOM 1776 C ALA B 226 23.533 21.553−18.346 1.00 52.38 6 C ATOM 1777 O ALA B 226 22.392 22.016 −18.177 1.0053.93 8 O ATOM 1778 CB ALA B 226 25.548 22.989 −17.956 1.00 49.59 6 CATOM 1779 N ARG B 227 23.740 20.746 −19.401 1.00 53.96 7 N ATOM 1780 CAARG B 227 22.555 20.434 −20.228 1.00 59.43 6 C ATOM 1781 C ARG B 22721.888 19.268 −19.482 1.00 58.70 6 C ATOM 1782 O ARG B 227 22.305 18.132−19.756 1.00 62.82 8 O ATOM 1783 CB ARG B 227 22.872 20.008 −21.665 1.0059.79 6 C ATOM 1784 CG ARG B 227 24.477 19.338 −22.017 0.00 25.00 6 CATOM 1785 CD ARG B 227 24.888 18.211 −22.951 0.00 25.00 6 C ATOM 1786 NEARG B 227 25.960 18.613 −23.855 0.00 25.00 7 N ATOM 1787 CZ ARG B 22726.502 17.817 −24.772 0.00 25.00 6 C ATOM 1788 NH1 ARG B 227 27.03417.247 −23.996 1.00 48.61 7 N ATOM 1789 NH2 ARG B 227 26.711 18.895−25.737 1.00 39.83 7 N ATOM 1790 N LEU B 228 21.000 19.468 −18.573 1.0053.96 7 N ATOM 1791 CA LEU B 228 20.289 18.471 −17.766 1.00 49.26 6 CATOM 1792 C LEU B 228 19.443 19.464 −16.911 1.00 45.31 6 C ATOM 1793 OLEU B 228 18.514 19.219 −16.209 1.00 43.53 8 O ATOM 1794 CB LEU B 22821.005 17.481 −16.893 1.00 46.87 6 C ATOM 1795 CG LEU B 228 21.85416.320 −17.309 1.00 48.28 6 C ATOM 1796 CD1 LEU B 228 22.670 15.754−16.132 1.00 47.79 6 C ATOM 1797 CD2 LEU B 228 21.072 15.107 −17.8441.00 47.43 6 C ATOM 1798 N GLY B 229 19.822 20.756 −17.007 1.00 42.40 7N ATOM 1799 CA GLY B 229 19.144 21.789 −16.328 1.00 41.81 6 C ATOM 1800C GLY B 229 19.659 22.255 −14.975 1.00 44.76 6 C ATOM 1801 O GLY B 22918.986 23.202 −14.458 1.00 43.23 8 O ATOM 1802 N TYR B 230 20.751 21.687−14.432 1.00 42.84 7 N ATOM 1803 CA TYR B 230 21.125 22.245 −13.142 1.0042.46 6 C ATOM 1804 C TYR B 230 22.012 23.482 −13.334 1.00 43.47 6 CATOM 1805 O TYR B 230 22.808 23.628 −14.236 1.00 44.42 8 O ATOM 1806 CBTYR B 230 21.884 21.280 −12.236 1.00 40.53 6 C ATOM 1807 CG TYR B 23021.402 19.851 −12.062 1.00 40.23 6 C ATOM 1808 CD1 TYR B 230 20.49319.473 −11.052 1.00 39.45 6 C ATOM 1809 CD2 TYR B 230 21.846 18.857−12.911 1.00 38.18 6 C ATOM 1810 CE1 TYR B 230 20.059 18.177 −10.9041.00 37.62 6 C ATOM 1811 CE2 TYR B 230 21.442 17.552 −12.798 1.00 36.996 C ATOM 1812 CZ TYR B 230 20.554 17.225 −11.798 1.00 37.90 6 C ATOM1813 OH TYR B 230 20.173 15.913 −11.704 1.00 37.00 8 O ATOM 1814 N ARG B231 21.919 24.360 −12.340 1.00 44.96 7 N ATOM 1815 CA ARG B 231 22.80825.506 −12.284 1.00 46.21 6 C ATOM 1816 C ARG B 231 24.154 24.938−11.835 1.00 44.69 6 C ATOM 1817 O ARG B 231 24.126 24.385 −10.726 1.0046.00 8 O ATOM 1818 CB ARG B 231 22.262 26.485 −11.265 1.00 51.01 6 CATOM 1819 CG ARG B 231 23.179 27.726 −11.171 1.00 57.81 6 C ATOM 1820 CDARG B 231 22.506 28.843 −10.382 1.00 62.05 6 C ATOM 1821 NE ARG B 23121.199 29.134 −11.029 1.00 67.92 7 N ATOM 1822 CZ ARG B 231 20.24429.845 −10.398 1.00 69.53 6 C ATOM 1823 NH1 ARG B 231 20.384 30.350−9.147 1.00 69.58 7 N ATOM 1824 NH2 ARG B 231 19.124 30.023 −11.107 1.0067.94 7 N ATOM 1825 N VAL B 232 25.214 24.956 −12.600 1.00 41.93 7 NATOM 1826 CA VAL B 232 26.513 24.422 −12.292 1.00 37.07 6 C ATOM 1827 CVAL B 232 27.273 25.604 −11.681 1.00 37.99 6 C ATOM 1828 O VAL B 23226.987 26.792 −11.933 1.00 38.44 8 O ATOM 1829 CB VAL B 232 27.28223.859 −13.504 1.00 37.74 6 C ATOM 1830 CG1 VAL B 232 28.508 23.055−13.068 1.00 37.72 6 C ATOM 1831 CG2 VAL B 232 26.413 22.870 −14.3271.00 33.68 6 C ATOM 1832 N ILE B 233 28.186 25.333 −10.762 1.00 31.97 7N ATOM 1833 CA ILE B 233 29.030 26.225 −10.086 1.00 30.98 6 C ATOM 1834C ILE B 233 30.469 25.614 −10.087 1.00 30.13 6 C ATOM 1835 O ILE B 23330.547 24.562 −9.455 1.00 30.79 8 O ATOM 1836 CB ILE B 233 28.604 26.453−8.602 1.00 32.03 6 C ATOM 1837 CG1 ILE B 233 27.181 26.777 −8.412 1.0033.09 6 C ATOM 1838 GG2 ILE B 233 29.520 27.511 −8.037 1.00 29.87 6 CATOM 1839 CD1 ILE B 233 26.484 27.099 −7.134 1.00 34.06 6 C ATOM 1840 NGLU B 234 31.523 26.105 −10.713 1.00 28.58 7 N ATOM 1841 CA GLU B 23432.763 25.393 −10.636 1.00 30.37 6 C ATOM 1842 C GLU B 234 33.663 25.942−9.520 1.00 29.96 6 C ATOM 1843 O GLU B 234 33.934 27.121 −9.279 1.0032.51 8 O ATOM 1844 CB GLU B 234 33.593 25.433 −11.956 1.00 32.68 6 CATOM 1845 CG GLU B 234 32.780 24.910 −13.125 1.00 36.41 6 C ATOM 1846 CDGLU B 234 33.306 25.486 −14.438 1.00 39.30 6 C ATOM 1847 OE1 GLU B 23434.451 25.169 −14.810 1.00 40.99 8 O ATOM 1848 OE2 GLU B 234 32.48226.247 −15.001 1.00 43.53 8 O ATOM 1849 N VAL B 235 34.233 25.118 −8.7221.00 25.15 7 N ATOM 1850 CA VAL B 235 35.182 25.458 −7.721 1.00 27.49 6C ATOM 1851 C VAL B 235 36.527 24.748 −7.963 1.00 31.55 6 C ATOM 1852 OVAL B 235 36.597 23.523 −8.137 1.00 35.85 8 O ATOM 1853 CB VAL B 23534.702 25.096 −6.315 1.00 26.41 6 C ATOM 1854 CG1 VAL B 235 35.80625.465 −5.258 1.00 26.81 6 C ATOM 1855 CG2 VAL B 235 33.445 25.897−6.028 1.00 20.80 6 C ATOM 1856 N ASP B 236 37.596 25.487 −8.030 1.0031.38 7 N ATOM 1857 CA ASP B 236 38.884 24.874 −8.183 1.00 31.79 6 CATOM 1858 C ASP B 236 39.175 24.212 −6.838 1.00 32.95 6 C ATOM 1859 OASP B 236 39.246 24.792 −5.718 1.00 31.64 8 O ATOM 1860 CB ASP B 23639.891 25.896 −8.649 1.00 31.49 6 C ATOM 1861 CG ASP B 236 41.262 25.293−8.837 1.00 35.92 6 C ATOM 1862 OD1 ASP B 236 41.415 24.071 −8.662 1.0035.41 8 O ATOM 1863 OD2 ASP B 236 42.218 26.087 −9.169 1.00 41.11 8 OATOM 1864 N THR B 237 39.433 22.892 −6.906 1.00 30.69 7 N ATOM 1865 CATHR B 237 39.770 22.098 −5.783 1.00 31.00 6 C ATOM 1866 C THR B 23741.093 21.330 −5.967 1.00 33.30 6 C ATOM 1867 O THR B 237 41.340 20.284−5.290 1.00 33.11 8 O ATOM 1868 CB THR B 237 38.691 21.056 −5.431 1.0032.05 6 C ATOM 1869 OG1 THR B 237 38.400 20.105 −6.480 1.00 33.86 8 OATOM 1870 CG2 THR B 237 37.433 21.712 −4.986 1.00 28.50 6 C ATOM 1871 NSER B 238 41.940 21.809 −6.853 1.00 33.02 7 N ATOM 1872 CA SER B 23843.209 21.215 −7.222 1.00 28.20 6 C ATOM 1873 C SER B 238 43.978 20.887−6.002 1.00 30.04 6 C ATOM 1874 O SER B 238 44.472 19.794 −5.984 1.0035.26 8 O ATOM 1875 CB SER B 238 44.037 22.164 −8.073 1.00 27.71 6 CATOM 1876 OG SER B 238 44.576 23.172 −7.247 1.00 30.17 8 O ATOM 1877 NGLU B 239 44.059 21.642 −4.920 1.00 32.03 7 N ATOM 1878 CA GLU B 23944.873 21.168 −3.772 1.00 30.79 6 C ATOM 1879 C GLU B 239 44.329 19.978−3.077 1.00 31.99 6 C ATOM 1880 O GLU B 239 44.978 19.200 −2.421 1.0035.69 8 O ATOM 1881 CB GLU B 239 45.065 22.341 −2.797 1.00 28.84 6 CATOM 1882 CG GLU B 239 45.883 23.462 −3.378 1.00 29.10 6 C ATOM 1883 CDGLU B 239 47.013 23.103 −4.317 1.00 34.18 6 C ATOM 1884 OE1 GLU B 23948.130 22.773 −3.858 1.00 37.03 8 O ATOM 1885 OE2 GLU B 239 46.74423.168 −5.545 1.00 35.24 8 O ATOM 1886 N TYR B 240 43.043 19.709 −3.0511.00 33.88 7 N ATOM 1887 CA TYR B 240 42.336 18.628 −2.424 1.00 31.12 6C ATOM 1888 C TYR B 240 42.509 17.402 −3.345 1.00 33.18 6 C ATOM 1889 OTYR B 240 42.759 16.314 −2.808 1.00 30.04 8 O ATOM 1890 CB TYR B 24040.895 19.004 −2.037 1.00 27.65 6 C ATOM 1891 CG TYR B 240 40.914 20.188−1.068 1.00 24.69 6 C ATOM 1892 CD1 TYR B 240 40.740 21.496 −1.477 1.0025.31 6 C ATOM 1893 CD2 TYR B 240 41.117 19.988 0.290 1.00 21.30 6 CATOM 1894 CE1 TYR B 240 40.776 22.534 −0.523 1.00 23.85 6 C ATOM 1895CE2 TYR B 240 41.156 20.962 1.225 1.00 16.53 6 C ATOM 1896 CZ TYR B 24040.982 22.244 0.791 1.00 21.38 6 C ATOM 1897 OH TYR B 240 41.006 23.2851.676 1.00 25.33 8 O ATOM 1898 N ARG B 241 42.535 17.576 −4.665 1.0031.36 7 N ATOM 1899 CA ARG B 241 42.753 16.397 −5.549 1.00 33.51 6 CATOM 1900 C ARG B 241 44.030 15.694 −5.174 1.00 35.42 6 C ATOM 1901 OARG B 241 44.181 14.510 −4.805 1.00 33.84 8 O ATOM 1902 CB ARG B 24142.674 16.901 −6.992 1.00 35.31 6 C ATOM 1903 CG ARG B 241 43.130 15.792−7.969 1.00 38.56 6 C ATOM 1904 CD ARG B 241 42.591 16.304 −9.331 1.0040.35 6 C ATOM 1905 NE ARG B 241 43.416 15.631 −10.232 1.00 46.19 7 NATOM 1906 CZ ARG B 241 44.541 15.602 −10.867 1.00 49.86 6 C ATOM 1907NH1 ARG B 241 45.427 16.571 −10.715 1.00 50.56 7 N ATOM 1908 NH2 ARG B241 44.744 14.531 −11.684 1.00 52.16 7 N ATOM 1909 N LYS B 242 45.11516.468 −4.982 1.00 39.13 7 N ATOM 1910 CA LYS B 242 46.438 16.050 −4.5821.00 36.72 6 C ATOM 1911 C LYS B 242 46.359 15.057 −3.448 1.00 38.02 6 CATOM 1912 O LYS B 242 47.242 14.204 −3.298 1.00 41.22 8 O ATOM 1913 CBLYS B 242 47.346 17.215 −4.171 1.00 33.98 6 C ATOM 1914 CG LYS B 24247.666 18.124 −5.326 1.00 30.99 6 C ATOM 1915 CD LYS B 242 48.338 19.408−4.888 1.00 33.78 6 C ATOM 1916 CE LYS B 242 48.653 20.298 −6.069 1.0035.39 6 C ATOM 1917 NZ LYS B 242 49.541 21.437 −5.544 1.00 40.42 7 NATOM 1918 N ILE B 243 45.372 15.160 −2.580 1.00 36.52 7 N ATOM 1919 CAILE B 243 45.381 14.149 −1.503 1.00 36.49 6 C ATOM 1920 C ILE B 24344.083 13.350 −1.621 1.00 42.73 6 C ATOM 1921 O ILE B 243 43.357 12.985−0.676 1.00 40.86 8 O ATOM 1922 CB ILE B 243 45.478 14.836 −0.183 1.0034.76 6 C ATOM 1923 CG1 ILE B 243 44.460 15.962 −0.107 1.00 31.25 6 CATOM 1924 CG2 ILE B 243 46.908 15.362 0.055 1.00 37.74 6 C ATOM 1925 CD1ILE B 243 44.517 16.678 1.254 1.00 23.62 6 C ATOM 1926 N ASP B 24443.731 13.182 −2.923 1.00 43.71 7 N ATOM 1927 CA ASP B 244 42.565 12.449−3.307 1.00 45.58 6 C ATOM 1928 C ASP B 244 41.267 12.824 −2.632 1.0041.72 6 C ATOM 1929 O ASP B 244 40.376 12.064 −2.167 1.00 37.85 8 O ATOM1930 CB ASP B 244 42.884 10.920 −3.131 1.00 52.26 6 C ATOM 1931 CG ASP B244 43.957 10.513 −4.114 1.00 57.25 6 C ATOM 1932 OD1 ASP B 244 44.24111.031 −5.222 1.00 59.06 8 O ATOM 1933 OD2 ASP B 244 44.669 9.546 −3.8171.00 61.58 8 O ATOM 1934 N GLY B 245 41.009 14.148 −2.682 1.00 39.49 7 NATOM 1935 CA GLY B 245 39.704 14.552 −2.090 1.00 35.37 6 C ATOM 1936 CGLY B 245 39.012 15.416 −3.114 1.00 32.59 6 C ATOM 1937 O GLY B 24539.581 15.902 −4.065 1.00 33.94 8 O ATOM 1938 N GLY B 246 37.786 15.708−2.896 1.00 29.93 7 N ATOM 1939 CA GLY B 246 37.048 16.585 −3.785 1.0028.70 6 C ATOM 1940 C GLY B 246 35.852 17.169 −3.066 1.00 26.29 6 C ATOM1941 O GLY B 246 35.727 17.157 −1.868 1.00 28.74 8 O ATOM 1942 N VAL B247 34.983 17.748 −3.903 1.00 24.88 7 N ATOM 1943 CA VAL B 247 33.84518.432 −3.354 1.00 24.67 6 C ATOM 1944 C VAL B 247 32.949 17.648 −2.4521.00 25.70 6 C ATOM 1945 O VAL B 247 32.579 18.222 −1.381 1.00 27.07 8 OATOM 1946 CB VAL B 247 33.008 19.182 −4.387 1.00 25.42 6 C ATOM 1947 CG1VAL B 247 33.898 20.319 −4.929 1.00 21.03 6 C ATOM 1948 CG2 VAL B 24732.410 18.212 −5.382 1.00 22.00 6 C ATOM 1949 N SER B 248 32.636 16.384−2.774 1.00 26.73 7 N ATOM 1950 CA SER B 248 31.755 15.721 −1.851 1.0028.20 6 C ATOM 1951 C SER B 248 32.445 15.468 −0.529 1.00 28.24 6 C ATOM1952 O SER B 248 31.758 15.424 0.472 1.00 27.86 8 O ATOM 1953 CB SER B248 31.222 14.441 −2.416 1.00 31.64 6 C ATOM 1954 OG SER B 248 31.84713.358 −1.719 1.00 36.92 8 O ATOM 1955 N CYS B 249 33.753 15.294 −0.5051.00 31.30 7 N ATOM 1956 CA CYS B 249 34.405 15.008 0.779 1.00 31.73 6 CATOM 1957 C CYS B 249 34.431 16.145 1.749 1.00 29.65 6 C ATOM 1958 O CYSB 249 34.692 15.990 2.961 1.00 33.43 8 O ATOM 1959 CB CYS B 249 35.87514.751 0.380 1.00 34.09 6 C ATOM 1960 SG CYS B 249 36.021 13.393 −0.8541.00 42.17 16 S ATOM 1961 N MET B 250 34.291 17.368 1.319 1.00 26.99 7 NATOM 1962 CA MET B 250 34.442 18.560 2.055 1.00 24.35 6 C ATOM 1963 CMET B 250 33.228 19.031 2.795 1.00 25.38 6 C ATOM 1964 O MET B 25033.362 20.066 3.513 1.00 29.84 8 O ATOM 1965 CB MET B 250 35.133 19.5771.238 1.00 27.95 6 C ATOM 1966 CG MET B 250 36.608 19.405 0.829 1.0030.01 6 C ATOM 1967 SD MET B 250 36.703 20.280 −0.822 1.00 34.62 16 SATOM 1968 CE MET B 250 37.358 21.661 0.056 1.00 28.78 6 C ATOM 1969 NSER B 251 32.115 18.299 2.787 1.00 20.49 7 N ATOM 1970 CA SER B 25131.024 18.793 3.585 1.00 19.65 6 C ATOM 1971 C SER B 251 30.111 17.6513.933 1.00 23.84 6 C ATOM 1972 O SER B 251 30.282 16.647 3.303 1.0023.98 8 O ATOM 1973 CB SER B 251 30.178 19.799 2.931 1.00 20.37 6 C ATOM1974 OG SER B 251 29.583 19.515 1.691 1.00 21.98 8 O ATOM 1975 N LEU B252 29.198 17.884 4.855 1.00 26.82 7 N ATOM 1976 CA LEU B 252 28.14616.886 5.211 1.00 24.00 6 C ATOM 1977 C LEU B 252 26.922 17.718 4.8521.00 25.46 6 C ATOM 1978 O LEU B 252 26.790 18.935 5.077 1.00 29.33 8 OATOM 1979 CB LEU B 252 28.229 16.679 6.675 1.00 22.51 6 C ATOM 1980 CGLEU B 252 28.766 15.589 7.543 1.00 25.06 6 C ATOM 1981 CD1 LEU B 25229.266 14.325 6.849 1.00 19.78 6 C ATOM 1982 CD2 LEU B 252 29.656 16.0678.712 1.00 21.09 6 C ATOM 1983 N ARG B 253 25.910 17.258 4.190 1.0026.65 7 N ATOM 1984 CA ARG B 253 24.670 17.784 3.703 1.00 24.05 6 C ATOM1985 C ARG B 253 23.480 17.011 4.215 1.00 25.30 6 C ATOM 1986 O ARG B253 23.508 15.792 4.067 1.00 28.18 8 O ATOM 1987 CB ARG B 253 24.68517.633 2.175 1.00 22.22 6 C ATOM 1988 CG ARG B 253 25.952 18.238 1.5821.00 26.92 6 C ATOM 1989 CD ARG B 253 26.350 17.944 0.182 1.00 26.27 6 CATOM 1990 NE ARG B 253 26.797 16.545 −0.067 1.00 27.87 7 N ATOM 1991 CZARG B 253 28.084 16.225 0.185 1.00 27.75 6 C ATOM 1992 NH1 ARG B 25328.466 14.977 −0.043 1.00 28.89 7 N ATOM 1993 NE2 ARG B 253 29.08716.967 0.644 1.00 24.41 7 N ATOM 1994 N PHE B 254 22.423 17.610 4.7751.00 26.50 7 N ATOM 1995 CA PHE B 254 21.301 16.898 5.297 1.00 24.53 6 CATOM 1996 C PHE B 254 19.960 17.623 5.559 1.00 26.44 6 C ATOM 1997 O PHEB 254 20.143 18.852 5.323 1.00 30.06 8 O ATOM 1998 CB PHE B 254 21.67116.373 6.642 1.00 22.92 6 C ATOM 1999 CG PHE B 254 22.341 17.144 7.6991.00 23.97 6 C ATOM 2000 CD1 PHE B 254 21.590 17.732 8.708 1.00 25.52 6C ATOM 2001 CD2 PHE B 254 23.686 17.288 7.728 1.00 25.50 6 C ATOM 2002CE1 PHE B 254 22.168 18.449 9.714 1.00 27.04 6 C ATOM 2003 CE2 PHE B 25424.264 18.025 8.757 1.00 30.49 6 C ATOM 2004 CZ PHE B 254 23.520 18.6029.742 1.00 28.56 6 C TER ATOM 1 O1 HOH X 1 24.542 23.882 9.504 1.0035.03 8 O ATOM 2 O1 HOH X 2 35.318 21.073 4.942 1.00 26.50 8 O ATOM 3 O1HOH X 3 41.377 20.696 10.101 1.00 38.80 8 O ATOM 4 O1 HOH X 4 42.35719.447 7.581 1.00 33.98 8 O ATOM 5 O1 HOH X 5 21.470 30.853 −0.085 1.0025.96 8 O ATOM 6 O1 HOH X 6 18.950 28.014 8.318 1.00 41.75 8 O ATOM 7 O1HOH X 7 43.559 13.715 9.783 1.00 26.39 8 O ATOM 8 O1 HOH X 8 36.77115.500 9.672 1.00 28.13 8 O ATOM 9 O1 HOH X 9 26.132 12.315 5.414 1.0032.09 8 O ATOM 10 O1 HOH X 10 21.623 13.736 4.006 1.00 29.02 8 O ATOM 11O1 HOH X 11 45.271 11.728 8.694 1.00 67.76 8 O ATOM 12 O1 HOH X 1242.735 9.217 15.128 1.00 65.03 8 O ATOM 13 O1 HOH X 13 32.037 19.26416.726 1.00 40.63 8 O ATOM 14 O1 HOH X 14 32.892 16.947 19.263 1.0046.29 8 O ATOM 15 O1 HOH X 15 24.890 3.070 17.310 1.00 40.23 8 O ATOM 16O1 HOH X 16 32.380 5.267 15.469 1.00 49.07 8 O ATOM 17 O1 HOH X 1734.753 0.707 18.627 1.00 59.61 8 O ATOM 18 O1 HOH X 18 28.311 10.0902.671 1.00 28.37 8 O ATOM 19 O1 HOH X 19 25.263 10.597 −0.686 1.00 41.068 O ATOM 20 O1 HOH X 20 23.460 11.655 −2.756 1.00 33.02 8 O ATOM 21 O1HOH X 21 19.479 11.112 −2.466 1.00 45.12 8 O ATOM 22 O1 HOH X 22 22.25713.231 −4.357 1.00 44.71 8 O ATOM 23 O1 HOH X 23 17.776 11.619 −0.2781.00 63.16 8 O ATOM 24 O1 HOH X 24 16.385 11.422 −3.683 1.00 50.40 8 OATOM 25 O1 HOH X 25 39.627 −1.157 7.618 1.00 41.09 8 O ATOM 26 O1 HOH X26 19.010 −3.375 3.753 1.00 61.26 8 O ATOM 27 O1 HOH X 27 36.210 18.243−6.356 1.00 45.91 8 O ATOM 28 O1 HOH X 28 35.748 16.042 −7.633 1.0044.29 8 O ATOM 29 O1 HOH X 29 29.319 12.535 3.046 1.00 63.89 8 O ATOM 30O1 HOH X 30 26.521 14.325 3.238 1.00 29.90 8 O ATOM 31 O1 HOH X 3128.848 14.581 2.929 1.00 58.43 8 O ATOM 32 O1 HOH X 32 24.945 14.476−0.833 1.00 33.94 8 O ATOM 33 O1 HOH X 33 33.088 30.207 −5.151 1.0036.10 8 O

TABLE III Structural coordinates for C249S + citrulline CRYST1 69.81461.798 54.618 90.00 95.15 90.00 SCALE1 0.014324 0.000000 0.0012910.00000 SCALE2 0.000000 0.016182 0.000000 0.00000 SCALE3 0.0000000.000000 0.018383 0.00000 ATOM 1 N PHE A 0 10.486 −6.599 29.319 1.0034.84 7 N ATOM 2 CA PHE A 0 11.878 −6.928 28.903 1.00 33.46 6 C ATOM 3 CPHE A 0 12.747 −5.694 29.139 1.00 31.95 6 C ATOM 4 O PHE A 0 12.228−4.596 29.328 1.00 31.99 8 O ATOM 5 CB PHE A 0 12.002 −7.409 27.466 1.0034.68 6 C ATOM 6 CG PHE A 0 12.507 −6.481 26.401 1.00 35.21 6 C ATOM 7CD1 PHE A 0 13.646 −6.803 25.668 1.00 35.82 6 C ATOM 8 CD2 PHE A 011.729 −5.431 25.926 1.00 35.33 6 C ATOM 9 CE1 PHE A 0 14.025 −6.03824.578 1.00 35.25 6 C ATOM 10 CE2 PHE A 0 11.915 −4.930 24.649 1.0035.33 6 C ATOM 11 CZ PHE A 0 13.122 −5.158 24.018 1.00 35.03 6 C ATOM 12N MET A 1 14.054 −5.896 29.152 1.00 29.75 7 N ATOM 13 CA MET A 1 14.993−4.809 29.339 1.00 28.18 6 C ATOM 14 C MET A 1 16.334 −5.234 28.713 1.0025.83 6 C ATOM 15 O MET A 1 16.742 −6.388 28.794 1.00 25.39 8 O ATOM 16CB MET A 1 15.230 −4.411 30.791 1.00 30.34 6 C ATOM 17 CG MET A 1 14.044−3.804 31.523 1.00 32.69 6 C ATOM 18 SD MET A 1 13.362 −2.313 30.7591.00 35.54 16 S ATOM 19 CE MET A 1 11.767 −2.225 31.562 1.00 35.20 6 CATOM 20 N PHE A 2 16.993 −4.265 28.110 1.00 22.15 7 N ATOM 21 CA PHE A 218.304 −4.520 27.516 1.00 19.52 6 C ATOM 22 C PHE A 2 19.340 −4.52228.643 1.00 18.72 6 C ATOM 23 O PHE A 2 19.138 −3.798 29.620 1.00 19.538 O ATOM 24 CB PHE A 2 18.662 −3.423 26.534 1.00 19.10 6 C ATOM 25 CGPHE A 2 17.908 −3.428 25.238 1.00 18.51 6 C ATOM 26 CD1 PHE A 2 17.469−2.233 24.684 1.00 17.79 6 C ATOM 27 CD2 PHE A 2 17.659 −4.622 24.5771.00 17.34 6 C ATOM 28 CE1 PHE A 2 16.785 −2.246 23.485 1.00 18.64 6 CATOM 29 CE2 PHE A 2 16.969 −4.631 23.381 1.00 18.28 6 C ATOM 30 CZ PHE A2 16.531 −3.443 22.832 1.00 17.96 6 C ATOM 31 N LYS A 3 20.396 −5.31528.503 1.00 18.95 7 N ATOM 32 CA LYS A 3 21.424 −5.342 29.536 1.00 19.966 C ATOM 33 C LYS A 3 22.712 −4.736 28.974 1.00 19.23 6 C ATOM 34 O LYSA 3 23.535 −4.261 29.748 1.00 17.13 8 O ATOM 35 CB LYS A 3 21.733 −6.75730.030 1.00 22.69 6 C ATOM 36 CG LYS A 3 20.535 −7.564 30.491 1.00 25.166 C ATOM 37 CD LYS A 3 20.875 −8.633 31.518 1.00 26.61 6 C ATOM 38 CELYS A 3 19.644 −9.088 32.280 1.00 28.55 6 C ATOM 39 NZ LYS A 3 18.776−10.061 31.558 1.00 28.28 7 N ATOM 40 N HIS A 4 22.880 −4.799 27.6501.00 18.22 7 N ATOM 41 CA HIS A 4 24.089 −4.307 27.021 1.00 20.26 6 CATOM 42 C HIS A 4 23.921 −3.535 25.713 1.00 20.77 6 C ATOM 43 O HIS A 422.982 −3.680 24.949 1.00 21.47 8 O ATOM 44 CB HIS A 4 24.985 −5.48026.574 1.00 21.95 6 C ATOM 45 CG HIS A 4 25.356 −6.520 27.572 1.00 22.926 C ATOM 46 ND1 HIS A 4 26.287 −6.300 28.558 1.00 23.96 7 N ATOM 47 CD2HIS A 4 24.930 −7.793 27.743 1.00 24.02 6 C ATOM 48 CE1 HIS A 4 26.427−7.383 29.307 1.00 24.68 6 C ATOM 49 NE2 HIS A 4 25.612 −8.307 28.8291.00 25.19 7 N ATOM 50 N ILE A 5 24.950 −2.742 25.449 1.00 20.42 7 NATOM 51 CA ILE A 5 25.109 −1.940 24.259 1.00 20.43 6 C ATOM 52 C ILE A 526.539 −2.108 23.755 1.00 19.34 6 C ATOM 53 O ILE A 5 27.462 −2.19724.582 1.00 18.36 8 O ATOM 54 CB ILE A 5 24.804 −0.463 24.603 1.00 23.356 C ATOM 55 CG1 ILE A 5 23.297 −0.280 24.336 1.00 24.22 6 C ATOM 56 CG2ILE A 5 25.650 0.551 23.876 1.00 24.72 6 C ATOM 57 CD1 ILE A 5 22.5400.546 25.326 1.00 26.51 6 C ATOM 58 N ILE A 6 26.721 −2.158 22.444 1.0015.55 7 N ATOM 59 CA ILE A 6 28.027 −2.202 21.813 1.00 15.75 6 C ATOM 60C ILE A 6 28.080 −0.957 20.908 1.00 15.53 6 C ATOM 61 O ILE A 6 27.102−0.646 20.210 1.00 13.82 8 O ATOM 62 CB ILE A 6 28.346 −3.436 20.9671.00 14.78 6 C ATOM 63 CG1 ILE A 6 28.335 −4.695 21.838 1.00 16.97 6 CATOM 64 CG2 ILE A 6 29.669 −3.306 20.228 1.00 16.50 6 C ATOM 65 CD1 ILEA 6 28.152 −5.975 21.046 1.00 16.36 6 C ATOM 66 N ALA A 7 29.204 −0.26320.884 1.00 15.16 7 N ATOM 67 CA ALA A 7 29.380 0.929 20.045 1.00 14.156 C ATOM 68 C ALA A 7 30.831 1.004 19.584 1.00 15.49 6 C ATOM 69 O ALA A7 31.662 0.243 20.109 1.00 14.95 8 O ATOM 70 CB ALA A 7 29.024 2.20520.798 1.00 15.14 6 C ATOM 71 N ARG A 8 31.172 1.887 18.648 1.00 15.36 7N ATOM 72 CA ARG A 8 32.589 1.971 18.231 1.00 15.29 6 C ATOM 73 C ARG A8 32.938 3.431 17.971 1.00 16.35 6 C ATOM 74 O ARG A 8 32.201 4.12917.276 1.00 16.53 8 O ATOM 75 CB ARG A 8 32.878 1.137 16.995 1.00 14.876 C ATOM 76 CG ARG A 8 34.325 1.148 16.495 1.00 15.82 6 C ATOM 77 CD ARGA 8 34.500 0.495 15.143 1.00 16.29 6 C ATOM 78 NE ARG A 8 34.246 −0.93415.102 1.00 17.37 7 N ATOM 79 CZ ARG A 8 35.062 −1.874 15.555 1.00 18.456 C ATOM 80 NH1 ARG A 8 36.222 −1.535 16.106 1.00 18.63 7 N ATOM 81 NH2ARG A 8 34.711 −3.155 15.457 1.00 19.40 7 N ATOM 82 N THR A 9 34.0383.887 18.528 1.00 15.44 7 N ATOM 83 CA THR A 9 34.504 5.259 18.332 1.0017.16 6 C ATOM 84 C THR A 9 34.633 5.552 16.853 1.00 16.48 6 C ATOM 85 OTHR A 9 35.123 4.709 16.112 1.00 16.25 8 O ATOM 86 CB THR A 9 35.9025.362 19.006 1.00 17.76 6 C ATOM 87 OG1 THR A 9 35.737 4.970 20.380 1.0016.44 8 O ATOM 88 CG2 THR A 9 36.488 6.759 18.971 1.00 17.88 6 C ATOM 89N PRO A 10 34.227 6.734 16.397 1.00 17.09 7 N ATOM 90 CA PRO A 10 34.3557.089 14.983 1.00 16.42 6 C ATOM 91 C PRO A 10 35.811 7.261 14.583 1.0016.74 6 C ATOM 92 O PRO A 10 36.640 7.694 15.412 1.00 17.10 8 O ATOM 93CB PRO A 10 33.564 8.391 14.888 1.00 16.10 6 C ATOM 94 CG PRO A 1033.641 8.980 16.255 1.00 16.61 6 C ATOM 95 CD PRO A 10 33.627 7.80917.216 1.00 15.55 6 C ATOM 96 N ALA A 11 36.166 6.915 13.361 1.00 16.217 N ATOM 97 CA ALA A 11 37.529 7.035 12.862 1.00 17.38 6 C ATOM 98 C ALAA 11 37.710 8.399 12.216 1.00 18.68 6 C ATOM 99 O ALA A 11 36.721 9.08611.900 1.00 18.73 8 O ATOM 100 CB ALA A 11 37.803 5.969 11.813 1.0017.84 6 C ATOM 101 N ARG A 12 38.954 8.810 11.963 1.00 19.90 7 N ATOM102 CA ARG A 12 39.173 10.090 11.293 1.00 20.96 6 C ATOM 103 C ARG A 1238.612 9.981 9.877 1.00 20.75 6 C ATOM 104 O ARG A 12 38.130 10.9789.312 1.00 21.87 8 O ATOM 105 CB ARG A 12 40.647 10.467 11.208 1.0023.96 6 C ATOM 106 CG ARG A 12 41.267 10.928 12.525 1.00 26.00 6 C ATOM107 CD ARG A 12 42.765 11.172 12.374 1.00 28.75 6 C ATOM 108 NE ARG A 1243.518 9.959 12.086 1.00 31.76 7 N ATOM 109 CZ ARG A 12 43.906 9.08113.011 1.00 33.15 6 C ATOM 110 NH1 ARG A 12 43.601 9.298 14.282 1.0033.71 7 N ATOM 111 NH2 ARG A 12 44.591 7.998 12.677 1.00 33.75 7 N ATOM112 N SER A 13 38.655 8.792 9.275 1.00 19.58 7 N ATOM 113 CA SER A 1338.140 8.558 7.932 1.00 19.39 6 C ATOM 114 C SER A 13 36.625 8.667 7.8221.00 17.92 6 C ATOM 115 O SER A 13 36.091 8.563 6.704 1.00 18.45 8 OATOM 116 CB SER A 13 38.610 7.228 7.340 1.00 19.66 6 C ATOM 117 OG SER A13 38.204 6.145 8.157 1.00 19.25 8 O ATOM 118 N LEU A 14 35.916 8.9148.904 1.00 17.74 7 N ATOM 119 CA LEU A 14 34.485 9.133 8.978 1.00 18.036 C ATOM 120 C LEU A 14 34.095 10.251 7.999 1.00 18.19 6 C ATOM 121 OLEU A 14 33.022 10.196 7.398 1.00 17.91 8 O ATOM 122 CB LEU A 14 34.0509.655 10.353 1.00 18.01 6 C ATOM 123 CG LEU A 14 32.554 9.922 10.5541.00 18.54 6 C ATOM 124 CD1 LEU A 14 31.839 8.615 10.885 1.00 17.99 6 CATOM 125 CD2 LEU A 14 32.252 10.951 11.626 1.00 18.06 6 C ATOM 126 N VALA 15 34.953 11.254 7.815 1.00 18.18 7 N ATOM 127 CA VAL A 15 34.69412.351 6.898 1.00 19.10 6 C ATOM 128 C VAL A 15 34.430 11.850 5.481 1.0019.56 6 C ATOM 129 O VAL A 15 33.736 12.528 4.711 1.00 18.47 8 O ATOM130 CB VAL A 15 35.814 13.405 6.865 1.00 19.70 6 C ATOM 131 CG1 VAL A 1536.037 13.988 8.260 1.00 19.99 6 C ATOM 132 CG2 VAL A 15 37.094 12.8386.289 1.00 19.14 6 C ATOM 133 N ASP A 16 34.991 10.692 5.130 1.00 18.797 N ATOM 134 CA ASP A 16 34.823 10.050 3.850 1.00 20.81 6 C ATOM 135 CASP A 16 33.811 8.904 3.892 1.00 19.88 6 C ATOM 136 O ASP A 16 33.8817.986 3.053 1.00 20.23 8 O ATOM 137 CB ASP A 16 36.181 9.482 3.376 1.0023.30 6 C ATOM 138 CG ASP A 16 37.237 10.553 3.213 1.00 26.45 6 C ATOM139 OD1 ASP A 16 36.877 11.686 2.819 1.00 28.16 8 O ATOM 140 OD2 ASP A16 38.441 10.344 3.453 1.00 28.97 8 O ATOM 141 N GLY A 17 32.882 8.9144.826 1.00 18.94 7 N ATOM 142 CA GLY A 17 31.871 7.875 4.939 1.00 19.406 C ATOM 143 C GLY A 17 30.930 7.922 3.726 1.00 19.51 6 C ATOM 144 O GLYA 17 30.764 8.979 3.126 1.00 18.08 8 O ATOM 145 N LEU A 18 30.342 6.7783.409 1.00 19.11 7 N ATOM 146 CA LEU A 18 29.416 6.717 2.279 1.00 19.216 C ATOM 147 C LEU A 18 28.210 7.621 2.504 1.00 19.09 6 C ATOM 148 O LEUA 18 27.741 7.778 3.636 1.00 17.62 8 O ATOM 149 CB LEU A 18 28.891 5.2922.147 1.00 18.12 6 C ATOM 150 CG LEU A 18 29.879 4.191 1.775 1.00 18.046 C ATOM 151 CD1 LEU A 18 29.157 2.861 1.947 1.00 17.06 6 C ATOM 152 CD2LEU A 18 30.434 4.384 0.374 1.00 18.90 6 C ATOM 153 N THR A 19 27.6848.215 1.423 1.00 18.60 7 N ATOM 154 CA THR A 19 26.518 9.054 1.583 1.0017.96 6 C ATOM 155 C THR A 19 25.807 9.340 0.250 1.00 19.50 6 C ATOM 156O THR A 19 26.409 9.408 −0.804 1.00 18.63 8 O ATOM 157 CB THR A 1926.761 10.421 2.252 1.00 17.80 6 C ATOM 158 OG1 THR A 19 25.480 11.0172.551 1.00 16.21 8 O ATOM 159 CG2 THR A 19 27.550 11.364 1.373 1.0017.31 6 C ATOM 160 N SER A 20 24.508 9.505 0.397 1.00 20.48 7 N ATOM 161CA SER A 20 23.650 9.837 −0.738 1.00 22.66 6 C ATOM 162 C SER A 2023.045 11.218 −0.466 1.00 22.62 6 C ATOM 163 O SER A 20 22.193 11.685−1.218 1.00 22.26 8 O ATOM 164 CB SER A 20 22.525 8.818 −0.899 1.0023.45 6 C ATOM 165 OG SER A 20 21.673 8.836 0.245 1.00 25.71 8 O ATOM166 N SER A 21 23.485 11.867 0.604 1.00 21.39 7 N ATOM 167 CA SER A 2122.967 13.184 0.963 1.00 20.49 6 C ATOM 168 C SER A 21 23.877 14.2990.496 1.00 19.70 6 C ATOM 169 O SER A 21 24.952 14.039 −0.043 1.00 17.568 O ATOM 170 CB SER A 21 22.710 13.263 2.473 1.00 21.50 6 C ATOM 171 OGSER A 21 21.736 12.259 2.769 1.00 21.95 8 O ATOM 172 N HIS A 22 23.40615.543 0.632 1.00 20.04 7 N ATOM 173 CA HIS A 22 24.160 16.725 0.2161.00 21.49 6 C ATOM 174 C HIS A 22 24.086 17.749 1.349 1.00 22.45 6 CATOM 175 O HIS A 22 23.735 18.929 1.221 1.00 21.66 8 O ATOM 176 CB HIS A22 23.660 17.272 −1.128 1.00 22.85 6 C ATOM 177 CG HIS A 22 23.72316.305 −2.277 1.00 22.85 6 C ATOM 178 ND1 HIS A 22 24.786 16.167 −3.1311.00 23.94 7 N ATOM 179 CD2 HIS A 22 22.794 15.400 −2.691 1.00 24.13 6 CATOM 180 CE1 HIS A 22 24.520 15.224 −4.025 1.00 23.85 6 C ATOM 181 NE2HIS A 22 23.312 14.743 −3.776 1.00 23.65 7 N ATOM 182 N LEU A 23 24.43817.268 2.553 1.00 21.92 7 N ATOM 183 CA LEU A 23 24.409 18.088 3.7541.00 22.19 6 C ATOM 184 C LEU A 23 25.779 18.520 4.251 1.00 22.87 6 CATOM 185 O LEU A 23 25.882 19.006 5.390 1.00 23.17 8 O ATOM 186 CB LEU A23 23.688 17.331 4.885 1.00 22.46 6 C ATOM 187 CG LEU A 23 22.197 17.0924.645 1.00 22.42 6 C ATOM 188 CD1 LEU A 23 21.671 15.942 5.495 1.0021.58 6 C ATOM 189 CD2 LEU A 23 21.428 18.375 4.922 1.00 21.84 6 C ATOM190 N GLY A 24 26.794 18.355 3.430 1.00 23.18 7 N ATOM 191 CA GLY A 2428.168 18.701 3.750 1.00 23.92 6 C ATOM 192 C GLY A 24 28.910 17.4644.264 1.00 24.21 6 C ATOM 193 O GLY A 24 28.275 16.416 4.415 1.00 22.418 O ATOM 194 N LYS A 25 30.215 17.575 4.490 1.00 23.26 7 N ATOM 195 CALYS A 25 30.993 16.454 4.992 1.00 21.64 6 C ATOM 196 C LYS A 25 31.15016.573 6.506 1.00 21.27 6 C ATOM 197 O LYS A 25 31.271 17.683 7.029 1.0021.25 8 O ATOM 198 CB LYS A 25 32.386 16.392 4.365 1.00 21.93 6 C ATOM199 CG LYS A 25 33.251 17.550 4.612 0.00 20.00 6 C ATOM 200 CD LYS A 2534.594 17.375 3.920 0.00 20.00 6 C ATOM 201 CE LYS A 25 35.490 18.5824.145 0.00 20.00 6 C ATOM 202 NZ LYS A 25 36.810 18.426 3.472 0.00 20.007 N ATOM 203 N PRO A 26 31.165 15.434 7.183 1.00 19.41 7 N ATOM 204 CAPRO A 26 31.312 15.404 8.622 1.00 19.94 6 C ATOM 205 C PRO A 26 32.59316.102 9.065 1.00 19.95 6 C ATOM 206 O PRO A 26 33.622 16.028 8.404 1.0019.52 8 O ATOM 207 CB PRO A 26 31.392 13.921 8.976 1.00 18.91 6 C ATOM208 CG PRO A 26 30.803 13.204 7.807 1.00 19.03 6 C ATOM 209 CD PRO A 2631.034 14.076 6.608 1.00 18.61 6 C ATOM 210 N ASP A 27 32.489 16.78010.192 1.00 20.51 7 N ATOM 211 CA ASP A 27 33.614 17.464 10.837 1.0021.51 6 C ATOM 212 C ASP A 27 34.044 16.433 11.898 1.00 20.72 6 C ATOM213 O ASP A 27 33.264 16.147 12.817 1.00 20.76 8 O ATOM 214 CB ASP A 2733.151 18.767 11.416 1.00 23.24 6 C ATOM 215 CG ASP A 27 33.776 19.38912.626 1.00 25.63 6 C ATOM 216 OD1 ASP A 27 34.786 18.959 13.216 1.0023.50 8 O ATOM 217 OD2 ASP A 27 33.192 20.429 13.058 1.00 28.20 8 O ATOM218 N TYR A 28 35.213 15.839 11.733 1.00 20.04 7 N ATOM 219 CA TYR A 2835.658 14.817 12.680 1.00 21.45 6 C ATOM 220 C TYR A 28 35.631 15.24414.129 1.00 20.40 6 C ATOM 221 O TYR A 28 35.065 14.535 14.978 1.0019.23 8 O ATOM 222 CB TYR A 28 37.038 14.243 12.295 1.00 24.21 6 C ATOM223 CG TYR A 28 37.448 13.177 13.302 1.00 27.40 6 C ATOM 224 CD1 TYR A28 36.682 12.027 13.431 1.00 29.10 6 C ATOM 225 CD2 TYR A 28 38.56513.320 14.108 1.00 29.34 6 C ATOM 226 CE1 TYR A 28 37.023 11.047 14.3401.00 30.61 6 C ATOM 227 CE2 TYR A 28 38.913 12.333 15.019 1.00 30.99 6 CATOM 228 CZ TYR A 28 38.139 11.205 15.127 1.00 31.25 6 C ATOM 229 OH TYRA 28 38.435 10.193 16.018 1.00 34.64 8 O ATOM 230 N ALA A 29 36.19116.396 14.505 1.00 19.93 7 N ATOM 231 CA ALA A 29 36.201 16.838 15.8971.00 19.71 6 C ATOM 232 C ALA A 29 34.799 16.938 16.478 1.00 19.88 6 CATOM 233 O ALA A 29 34.516 16.490 17.590 1.00 18.53 8 O ATOM 234 CB ALAA 29 36.934 18.166 16.031 1.00 21.35 6 C ATOM 235 N LYS A 30 33.88317.535 15.713 1.00 18.73 7 N ATOM 236 CA LYS A 30 32.498 17.661 16.1511.00 18.36 6 C ATOM 237 C LYS A 30 31.818 16.307 16.267 1.00 17.40 6 CATOM 238 O LYS A 30 31.034 16.063 17.186 1.00 16.96 8 O ATOM 239 CB LYSA 30 31.761 18.590 15.183 1.00 19.98 6 C ATOM 240 CG LYS A 30 30.33418.899 15.605 1.00 22.24 6 C ATOM 241 CD LYS A 30 29.776 19.997 14.6891.00 25.22 6 C ATOM 242 CE LYS A 30 28.297 20.206 14.995 1.00 26.95 6 CATOM 243 NZ LYS A 30 27.628 20.937 13.871 1.00 30.17 7 N ATOM 244 N ALAA 31 32.119 15.373 15.363 1.00 17.53 7 N ATOM 245 CA ALA A 31 31.52514.035 15.385 1.00 17.65 6 C ATOM 246 C ALA A 31 31.963 13.286 16.6391.00 17.96 6 C ATOM 247 O ALA A 31 31.189 12.542 17.227 1.00 18.21 8 OATOM 248 CB ALA A 31 31.939 13.224 14.174 1.00 17.70 6 C ATOM 249 N LEUA 32 33.215 13.514 17.024 1.00 18.75 7 N ATOM 250 CA LEU A 32 33.74012.863 18.241 1.00 19.52 6 C ATOM 251 C LEU A 32 32.943 13.341 19.4361.00 19.04 6 C ATOM 252 O LEU A 32 32.533 12.550 20.290 1.00 17.48 8 OATOM 253 CB LEU A 32 35.223 13.198 18.319 1.00 21.98 6 C ATOM 254 CG LEUA 32 36.086 12.424 19.307 1.00 23.27 6 C ATOM 255 CD1 LEU A 32 36.14910.960 18.900 1.00 22.40 6 C ATOM 256 CD2 LEU A 32 37.479 13.054 19.3571.00 24.71 6 C ATOM 257 N GLU A 33 32.692 14.652 19.520 1.00 19.01 7 NATOM 258 CA GLU A 33 31.927 15.189 20.637 1.00 20.58 6 C ATOM 259 C GLUA 33 30.506 14.642 20.623 1.00 19.18 6 C ATOM 260 O GLU A 33 29.93714.371 21.671 1.00 17.50 8 O ATOM 261 CB GLU A 33 31.899 16.720 20.6451.00 22.94 6 C ATOM 262 CG GLU A 33 33.254 17.382 20.782 1.00 26.56 6 CATOM 263 CD GLU A 33 33.862 17.278 22.168 1.00 28.61 6 C ATOM 264 OE1GLU A 33 33.145 17.353 23.181 1.00 30.54 8 O ATOM 265 OE2 GLU A 3335.095 17.115 22.258 1.00 31.92 8 O ATOM 266 N GLN A 34 29.890 14.49019.436 1.00 17.83 7 N ATOM 267 CA GLN A 34 28.523 13.974 19.427 1.0016.80 6 C ATOM 268 C GLN A 34 28.466 12.504 19.842 1.00 15.85 6 C ATOM269 O GLN A 34 27.514 12.098 20.507 1.00 15.66 8 O ATOM 270 CB GLN A 3427.900 14.159 18.021 1.00 17.48 6 C ATOM 271 CG GLN A 34 27.829 15.63417.635 1.00 17.32 6 C ATOM 272 CD GLN A 34 27.099 15.916 16.337 1.0018.32 6 C ATOM 273 OE1 GLN A 34 27.015 15.081 15.434 1.00 17.17 8 O ATOM274 NE2 GLN A 34 26.559 17.143 16.241 1.00 18.36 7 N ATOM 275 N HIS A 3529.478 11.724 19.444 1.00 15.51 7 N ATOM 276 CA HIS A 35 29.496 10.29919.796 1.00 15.77 6 C ATOM 277 C HIS A 35 29.683 10.162 21.313 1.0015.75 6 C ATOM 278 O HIS A 35 29.108 9.302 21.960 1.00 15.76 8 O ATOM279 CB HIS A 35 30.587 9.540 19.043 1.00 14.81 6 C ATOM 280 CG HIS A 3530.523 8.046 19.187 1.00 15.47 6 C ATOM 281 ND1 HIS A 35 29.855 7.21218.335 1.00 15.73 7 N ATOM 282 CD2 HIS A 35 31.062 7.228 20.131 1.0014.24 6 C ATOM 283 CE1 HIS A 35 29.976 5.948 18.723 1.00 13.38 6 C ATOM284 NE2 HIS A 35 30.706 5.940 19.814 1.00 17.20 7 N ATOM 285 N ASN A 3630.490 11.048 21.876 1.00 15.94 7 N ATOM 286 CA ASN A 36 30.732 11.05923.319 1.00 16.61 6 C ATOM 287 C ASN A 36 29.408 11.397 23.982 1.0015.95 6 C ATOM 288 O ASN A 36 28.987 10.736 24.922 1.00 15.95 8 O ATOM289 CB ASN A 36 31.819 12.062 23.688 1.00 17.34 6 C ATOM 290 CG ASN A 3632.117 12.082 25.174 1.00 19.60 6 C ATOM 291 OD1 ASN A 36 32.469 11.05125.779 1.00 21.25 8 O ATOM 292 ND2 ASN A 36 31.966 13.260 25.768 1.0018.15 7 N ATOM 293 N ALA A 37 28.678 12.392 23.475 1.00 16.01 7 N ATOM294 CA ALA A 37 27.388 12.770 24.047 1.00 15.68 6 C ATOM 295 C ALA A 3726.415 11.603 24.014 1.00 17.39 6 C ATOM 296 O ALA A 37 25.585 11.40624.912 1.00 16.75 8 O ATOM 297 CB ALA A 37 26.839 14.004 23.346 1.0017.33 6 C ATOM 298 N TYR A 38 26.509 10.809 22.945 1.00 17.71 7 N ATOM299 CA TYR A 38 25.660 9.636 22.755 1.00 17.39 6 C ATOM 300 C TYR A 3825.996 8.594 23.820 1.00 17.49 6 C ATOM 301 O TYR A 38 25.100 8.00324.412 1.00 16.46 8 O ATOM 302 CB TYR A 38 25.855 9.098 21.360 1.0017.02 6 C ATOM 303 CG TYR A 38 25.177 7.849 20.871 1.00 16.94 6 C ATOM304 CD1 TYR A 38 23.792 7.792 20.702 1.00 16.91 6 C ATOM 305 CD2 TYR A38 25.914 6.709 20.565 1.00 17.02 6 C ATOM 306 CE1 TYR A 38 23.189 6.62820.240 1.00 16.10 6 C ATOM 307 CE2 TYR A 38 25.312 5.547 20.103 1.0016.67 6 C ATOM 308 CZ TYR A 38 23.944 5.520 19.945 1.00 16.35 6 C ATOM309 OH TYR A 38 23.312 4.374 19.484 1.00 17.37 8 O ATOM 310 N ILE A 3927.281 8.356 24.043 1.00 17.68 7 N ATOM 311 CA ILE A 39 27.680 7.38225.079 1.00 17.98 6 C ATOM 312 C ILE A 39 27.241 7.822 26.463 1.00 17.816 C ATOM 313 O ILE A 39 26.765 7.013 27.282 1.00 19.30 8 O ATOM 314 CBILE A 39 29.200 7.148 25.007 1.00 17.61 6 C ATOM 315 CG1 ILE A 39 29.5616.509 23.664 1.00 17.33 6 C ATOM 316 CG2 ILE A 39 29.700 6.266 26.1541.00 17.15 6 C ATOM 317 CD1 ILE A 39 28.921 5.158 23.399 1.00 18.02 6 CATOM 318 N ARG A 40 27.356 9.122 26.766 1.00 17.14 7 N ATOM 319 CA ARG A40 26.971 9.655 28.061 1.00 16.41 6 C ATOM 320 C ARG A 40 25.482 9.50528.296 1.00 16.56 6 C ATOM 321 O ARG A 40 25.062 9.310 29.429 1.00 16.618 O ATOM 322 CB ARG A 40 27.391 11.125 28.242 1.00 17.11 6 C ATOM 323 CGARG A 40 28.898 11.298 28.127 1.00 17.31 6 C ATOM 324 CD ARG A 40 29.32212.711 28.542 1.00 21.96 6 C ATOM 325 NE ARG A 40 29.211 12.837 30.0011.00 23.03 7 N ATOM 326 CZ ARG A 40 29.590 13.930 30.664 1.00 25.55 6 CATOM 327 NH1 ARG A 40 30.085 14.959 29.986 1.00 25.55 7 N ATOM 328 NH2ARG A 40 29.477 14.018 31.990 1.00 26.48 7 N ATOM 329 N ALA A 41 24.6839.621 27.232 1.00 15.54 7 N ATOM 330 CA ALA A 41 23.239 9.421 27.3331.00 15.30 6 C ATOM 331 C ALA A 41 23.014 7.936 27.632 1.00 15.16 6 CATOM 332 O ALA A 41 22.207 7.563 28.497 1.00 16.83 8 O ATOM 333 CB ALA A41 22.590 9.775 25.996 1.00 14.59 6 C ATOM 334 N LEU A 42 23.717 7.04826.927 1.00 15.85 7 N ATOM 335 CA LEU A 42 23.587 5.607 27.119 1.0016.10 6 C ATOM 336 C LEU A 42 24.051 5.158 28.490 1.00 16.83 6 C ATOM337 O LEU A 42 23.558 4.158 29.027 1.00 17.17 8 O ATOM 338 CB LEU A 4224.309 4.790 26.035 1.00 16.72 6 C ATOM 339 CG LEU A 42 23.614 4.79624.666 1.00 17.58 6 C ATOM 340 CD1 LEU A 42 24.590 4.456 23.552 1.0016.82 6 C ATOM 341 CD2 LEU A 42 22.410 3.865 24.656 1.00 16.86 6 C ATOM342 N GLN A 43 24.942 5.909 29.146 1.00 16.42 7 N ATOM 343 CA GLN A 4325.388 5.594 30.493 1.00 17.10 6 C ATOM 344 C GLN A 43 24.286 5.80231.533 1.00 17.80 6 C ATOM 345 O GLN A 43 24.437 5.348 32.671 1.00 17.368 O ATOM 346 CB GLN A 43 26.583 6.478 30.866 1.00 17.64 6 C ATOM 347 CGGLN A 43 27.929 6.099 30.301 1.00 18.31 6 C ATOM 348 CD GLN A 43 29.0287.089 30.652 1.00 19.64 6 C ATOM 349 OE1 GLN A 43 29.661 7.005 31.7271.00 21.94 8 O ATOM 350 NE2 GLN A 43 29.300 8.029 29.787 1.00 18.72 7 NATOM 351 N THR A 44 23.193 6.483 31.181 1.00 18.12 7 N ATOM 352 CA THR A44 22.071 6.723 32.068 1.00 19.00 6 C ATOM 353 C THR A 44 20.923 5.74431.841 1.00 19.45 6 C ATOM 354 O THR A 44 19.869 5.851 32.486 1.00 20.448 O ATOM 355 CB THR A 44 21.490 8.144 31.922 1.00 19.93 6 C ATOM 356 OG1THR A 44 20.755 8.315 30.700 1.00 20.90 8 O ATOM 357 CG2 THR A 44 22.6099.181 31.919 1.00 20.24 6 C ATOM 358 N CYH A 45 21.095 4.763 30.964 1.0019.74 7 N ATOM 359 CA CYH A 45 20.033 3.814 30.657 1.00 20.07 6 C ATOM360 C CYH A 45 20.125 2.441 31.286 1.00 20.92 6 C ATOM 361 O CYH A 4519.515 1.491 30.801 1.00 20.53 8 O ATOM 362 CB CYH A 45 19.914 3.67629.127 1.00 19.22 6 C ATOM 363 SG CYH A 45 19.561 5.230 28.274 1.0019.20 16 S ATOM 364 N ASP A 46 20.864 2.273 32.373 1.00 21.40 7 N ATOM365 CA ASP A 46 20.985 1.018 33.081 1.00 22.30 6 C ATOM 366 C ASP A 4621.443 −0.153 32.235 1.00 21.77 6 C ATOM 367 O ASP A 46 20.938 −1.26932.315 1.00 20.87 8 O ATOM 368 CB ASP A 46 19.659 0.716 33.809 1.0026.21 6 C ATOM 369 CG ASP A 46 19.417 1.826 34.832 1.00 29.62 6 C ATOM370 OD1 ASP A 46 20.399 2.505 35.205 1.00 32.76 8 O ATOM 371 OD2 ASP A46 18.253 1.996 35.232 1.00 31.85 8 O ATOM 372 N VAL A 47 22.457 0.08331.404 1.00 19.76 7 N ATOM 373 CA VAL A 47 23.029 −0.962 30.571 1.0019.18 6 C ATOM 374 C VAL A 47 24.547 −0.894 30.721 1.00 18.35 6 C ATOM375 O VAL A 47 25.029 0.175 31.119 1.00 18.07 8 O ATOM 376 CB VAL A 4722.724 −0.745 29.073 1.00 18.59 6 C ATOM 377 CG1 VAL A 47 21.245 −0.96028.763 1.00 19.18 6 C ATOM 378 CG2 VAL A 47 23.135 0.658 28.632 1.0018.31 6 C ATOM 379 N ASP A 48 25.287 −1.965 30.429 1.00 18.46 7 N ATOM380 CA ASP A 48 26.746 −1.760 30.469 1.00 20.15 6 C ATOM 381 C ASP A 4827.075 −1.528 28.990 1.00 19.10 6 C ATOM 382 O ASP A 48 26.306 −1.94228.112 1.00 17.75 8 O ATOM 383 CB ASP A 48 27.629 −2.740 31.181 1.0023.02 6 C ATOM 384 CG ASP A 48 27.243 −4.163 30.870 1.00 25.01 6 C ATOM385 OD1 ASP A 48 27.140 −4.354 29.641 1.00 27.97 8 O ATOM 386 OD2 ASP A48 27.079 −4.968 31.807 1.00 26.87 8 O ATOM 387 N ILE A 49 28.158 −0.82228.730 1.00 17.74 7 N ATOM 388 CA ILE A 49 28.545 −0.425 27.394 1.0017.46 6 C ATOM 389 C ILE A 49 29.886 −1.009 26.993 1.00 18.13 6 C ATOM390 O ILE A 49 30.792 −0.980 27.830 1.00 19.06 8 O ATOM 391 CB ILE A 4928.656 1.127 27.403 1.00 17.25 6 C ATOM 392 CG1 ILE A 49 27.285 1.76127.656 1.00 16.41 6 C ATOM 393 CG2 ILE A 49 29.307 1.683 26.152 1.0016.85 6 C ATOM 394 CD1 ILE A 49 27.277 3.115 28.344 1.00 17.77 6 C ATOM395 N THR A 50 29.954 −1.559 25.795 1.00 17.09 7 N ATOM 396 CA THR A 5031.230 −2.089 25.290 1.00 16.16 6 C ATOM 397 C THR A 50 31.599 −1.11524.173 1.00 16.37 6 C ATOM 398 O THR A 50 30.912 −1.092 23.166 1.0014.97 8 O ATOM 399 CB THR A 50 31.123 −3.529 24.782 1.00 16.19 6 C ATOM400 OG1 THR A 50 30.762 −4.342 25.907 1.00 16.27 8 O ATOM 401 CG2 THR A50 32.432 −3.990 24.158 1.00 15.83 6 C ATOM 402 N LEU A 51 32.634 −0.31424.355 1.00 16.48 7 N ATOM 403 CA LEU A 51 33.040 0.676 23.370 1.0016.70 6 C ATOM 404 C LEU A 51 34.300 0.244 22.656 1.00 17.07 6 C ATOM405 O LEU A 51 35.358 0.205 23.276 1.00 17.10 8 O ATOM 406 CB LEU A 5133.205 2.001 24.126 1.00 18.72 6 C ATOM 407 CG LEU A 51 33.676 3.24123.377 1.00 19.48 6 C ATOM 408 CD1 LEU A 51 32.832 3.523 22.139 1.0019.63 6 C ATOM 409 CD2 LEU A 51 33.655 4.441 24.331 1.00 18.92 6 C ATOM410 N LEU A 52 34.165 −0.096 21.370 1.00 16.03 7 N ATOM 411 CA LEU A 5235.329 −0.548 20.590 1.00 16.58 6 C ATOM 412 C LEU A 52 36.124 0.60120.007 1.00 17.29 6 C ATOM 413 O LEU A 52 35.593 1.686 19.808 1.00 17.678 O ATOM 414 CB LEU A 52 34.820 −1.503 19.493 1.00 16.47 6 C ATOM 415 CGLEU A 52 33.908 −2.606 20.102 1.00 17.34 6 C ATOM 416 CD1 LEU A 5233.290 −3.428 18.988 1.00 17.64 6 C ATOM 417 CD2 LEU A 52 34.774 −3.47921.012 1.00 17.88 6 C ATOM 418 N PRO A 53 37.408 0.359 19.735 1.00 18.137 N ATOM 419 CA PRO A 53 38.300 1.358 19.174 1.00 18.68 6 C ATOM 420 CPRO A 53 38.012 1.662 17.708 1.00 18.23 6 C ATOM 421 O PRO A 53 37.4580.853 16.954 1.00 18.12 8 O ATOM 422 CB PRO A 53 39.676 0.724 19.3281.00 19.31 6 C ATOM 423 CG PRO A 53 39.425 −0.749 19.319 1.00 20.13 6 CATOM 424 CD PRO A 53 38.078 −0.942 19.971 1.00 19.07 6 C ATOM 425 N PROA 54 38.450 2.832 17.256 1.00 19.31 7 N ATOM 426 CA PRO A 54 38.2493.235 15.873 1.00 19.69 6 C ATOM 427 C PRO A 54 39.051 2.383 14.917 1.0020.19 6 C ATOM 428 O PRO A 54 40.099 1.822 15.273 1.00 19.58 8 O ATOM429 CB PRO A 54 38.709 4.688 15.837 1.00 19.42 6 C ATOM 430 CG PRO A 5439.619 4.853 17.003 1.00 19.42 6 C ATOM 431 CD PRO A 54 39.159 3.87118.053 1.00 19.10 6 C ATOM 432 N ASP A 55 38.590 2.273 13.669 1.00 20.517 N ATOM 433 CA ASP A 55 39.334 1.500 12.671 1.00 20.52 6 C ATOM 434 CASP A 55 39.378 2.393 11.434 1.00 20.75 6 C ATOM 435 O ASP A 55 38.3432.526 10.787 1.00 19.74 8 O ATOM 436 CB ASP A 55 38.715 0.158 12.3361.00 21.30 6 C ATOM 437 CG ASP A 55 39.668 −0.725 11.545 1.00 22.15 6 CATOM 438 OD1 ASP A 55 40.404 −0.215 10.677 1.00 22.35 8 O ATOM 439 OD2ASP A 55 39.677 −1.947 11.808 1.00 22.23 8 O ATOM 440 N GLU A 56 40.5302.981 11.127 1.00 20.95 7 N ATOM 441 CA GLU A 56 40.652 3.872 9.983 1.0021.91 6 C ATOM 442 C GLU A 56 40.374 3.266 8.628 1.00 22.14 6 C ATOM 443O GLU A 56 40.005 3.976 7.675 1.00 22.30 8 O ATOM 444 CB GLU A 56 42.0734.494 9.986 1.00 21.51 6 C ATOM 445 CG GLU A 56 42.320 5.381 11.200 1.0022.25 6 C ATOM 446 CD GLU A 56 41.351 6.548 11.256 1.00 22.92 6 C ATOM447 OE1 GLU A 56 40.899 6.988 10.168 1.00 23.40 8 O ATOM 448 OE2 GLU A56 41.037 7.030 12.361 1.00 23.13 8 O ATOM 449 N ARG A 57 40.512 1.9528.488 1.00 21.32 7 N ATOM 450 CA ARG A 57 40.253 1.275 7.232 1.00 22.006 C ATOM 451 C ARG A 57 38.764 1.275 6.896 1.00 20.96 6 C ATOM 452 O ARGA 57 38.411 1.000 5.753 1.00 20.22 8 O ATOM 453 CB ARG A 57 40.701−0.191 7.284 1.00 23.05 6 C ATOM 454 CG ARG A 57 42.168 −0.438 7.5901.00 25.32 6 C ATOM 455 CD ARG A 57 42.410 −1.946 7.718 1.00 26.59 6 CATOM 456 NE ARG A 57 41.705 −2.457 8.897 1.00 27.97 7 N ATOM 457 CZ ARGA 57 41.826 −3.688 9.363 1.00 29.42 6 C ATOM 458 NH1 ARG A 57 42.643−4.531 8.730 1.00 30.82 7 N ATOM 459 NH2 ARG A 57 41.147 −4.058 10.4391.00 29.69 7 N ATOM 460 N PHE A 58 37.886 1.509 7.860 1.00 19.02 7 NATOM 461 CA PHE A 58 36.451 1.497 7.665 1.00 18.61 6 C ATOM 462 C PHE A58 35.799 2.790 8.130 1.00 17.30 6 C ATOM 463 O PHE A 58 35.326 2.9289.254 1.00 19.92 8 O ATOM 464 CB PHE A 58 35.825 0.291 8.398 1.00 18.106 C ATOM 465 CG PHE A 58 36.324 −1.029 7.867 1.00 19.72 6 C ATOM 466 CD1PHE A 58 37.331 −1.703 8.546 1.00 19.32 6 C ATOM 467 CD2 PHE A 58 35.815−1.580 6.705 1.00 19.53 6 C ATOM 468 CE1 PHE A 58 37.818 −2.905 8.0821.00 19.70 6 C ATOM 469 CE2 PHE A 58 36.299 −2.783 6.233 1.00 19.56 6 CATOM 470 CZ PHE A 58 37.297 −3.441 6.921 1.00 19.55 6 C ATOM 471 N PRO A59 35.713 3.782 7.235 1.00 17.17 7 N ATOM 472 CA PRO A 59 35.118 5.0717.525 1.00 16.18 6 C ATOM 473 C PRO A 59 33.761 5.046 8.204 1.00 15.94 6C ATOM 474 O PRO A 59 33.440 5.870 9.079 1.00 15.97 8 O ATOM 475 CB PROA 59 34.949 5.669 6.114 1.00 17.24 6 C ATOM 476 CG PRO A 59 36.128 5.1335.372 1.00 17.95 6 C ATOM 477 CD PRO A 59 36.256 3.696 5.844 1.00 16.896 C ATOM 478 N ASP A 60 32.898 4.102 7.819 1.00 15.33 7 N ATOM 479 CAASP A 60 31.553 3.978 8.379 1.00 15.01 6 C ATOM 480 C ASP A 60 31.4512.947 9.485 1.00 15.24 6 C ATOM 481 O ASP A 60 30.338 2.601 9.916 1.0014.28 8 O ATOM 482 CB ASP A 60 30.598 3.567 7.240 1.00 15.95 6 C ATOM483 CG ASP A 60 30.338 4.672 6.229 1.00 16.82 6 C ATOM 484 OD1 ASP A 6029.712 5.661 6.662 1.00 17.32 8 O ATOM 485 OD2 ASP A 60 30.750 4.5265.063 1.00 18.51 8 O ATOM 486 N SER A 61 32.572 2.471 10.051 1.00 16.427 N ATOM 487 CA SER A 61 32.540 1.452 11.102 1.00 16.87 6 C ATOM 488 CSER A 61 31.916 1.860 12.418 1.00 16.66 6 C ATOM 489 O SER A 61 31.5581.028 13.274 1.00 15.45 8 O ATOM 490 CB SER A 61 33.919 0.792 11.2431.00 16.12 6 C ATOM 491 OG SER A 61 34.881 1.734 11.651 1.00 16.56 8 OATOM 492 N VAL A 62 31.646 3.141 12.640 1.00 16.03 7 N ATOM 493 CA VAL A62 30.966 3.691 13.791 1.00 15.34 6 C ATOM 494 C VAL A 62 29.528 3.18113.774 1.00 14.51 6 C ATOM 495 O VAL A 62 28.872 3.054 14.809 1.00 14.228 O ATOM 496 CB VAL A 62 30.957 5.233 13.779 1.00 15.67 6 C ATOM 497 CG1VAL A 62 30.222 5.782 12.552 1.00 16.45 6 C ATOM 498 CG2 VAL A 62 30.3345.800 15.041 1.00 15.95 6 C ATOM 499 N PHE A 63 29.003 2.865 12.578 1.0014.14 7 N ATOM 500 CA PHE A 63 27.651 2.354 12.440 1.00 14.70 6 C ATOM501 C PHE A 63 27.618 0.845 12.632 1.00 15.04 6 C ATOM 502 O PHE A 6327.327 0.032 11.744 1.00 14.19 8 O ATOM 503 CB PHE A 63 27.057 2.72711.066 1.00 14.74 6 C ATOM 504 CG PHE A 63 27.046 4.232 10.883 1.0014.96 6 C ATOM 505 CD1 PHE A 63 27.646 4.800 9.769 1.00 16.53 6 C ATOM506 CD2 PHE A 63 26.441 5.039 11.823 1.00 16.14 6 C ATOM 507 CE1 PHE A63 27.635 6.176 9.605 1.00 16.87 6 C ATOM 508 CE2 PHE A 63 26.426 6.41911.665 1.00 17.07 6 C ATOM 509 CZ PHE A 63 27.026 6.978 10.553 1.0016.78 6 C ATOM 510 N VAL A 64 27.869 0.424 13.876 1.00 14.70 7 N ATOM511 CA VAL A 64 27.905 −0.973 14.276 1.00 14.29 6 C ATOM 512 C VAL A 6426.582 −1.704 14.158 1.00 15.65 6 C ATOM 513 O VAL A 64 26.571 −2.95814.145 1.00 14.07 8 O ATOM 514 CB VAL A 64 28.444 −1.149 15.714 1.0014.63 6 C ATOM 515 CG1 VAL A 64 29.886 −0.655 15.761 1.00 14.17 6 C ATOM516 CG2 VAL A 64 27.554 −0.445 16.721 1.00 16.21 6 C ATOM 517 N GLU A 6525.475 −0.994 14.008 1.00 14.90 7 N ATOM 518 CA GLU A 65 24.199 −1.66613.802 1.00 15.80 6 C ATOM 519 C GLU A 65 24.235 −2.532 12.543 1.0015.72 6 C ATOM 520 O GLU A 65 23.622 −3.595 12.597 1.00 16.48 8 O ATOM521 CB GLU A 65 23.086 −0.626 13.622 1.00 16.23 6 C ATOM 522 CG GLU A 6521.765 −1.188 13.141 1.00 16.17 6 C ATOM 523 CD GLU A 65 20.570 −0.37313.570 1.00 15.38 6 C ATOM 524 OE1 GLU A 65 20.234 0.621 12.892 1.0014.27 8 O ATOM 525 OE2 GLU A 65 19.942 −0.703 14.585 1.00 16.01 8 O ATOM526 N ASP A 66 24.895 −2.146 11.458 1.00 15.62 7 N ATOM 527 CA ASP A 6624.838 −2.969 10.237 1.00 15.25 6 C ATOM 528 C ASP A 66 25.492 −4.32010.196 1.00 16.58 6 C ATOM 529 O ASP A 66 24.912 −5.303 9.696 1.00 14.968 O ATOM 530 CB ASP A 66 25.212 −2.071 9.041 1.00 15.64 6 C ATOM 531 CGASP A 66 24.239 −0.901 8.977 1.00 15.18 6 C ATOM 532 OD1 ASP A 66 23.014−1.156 9.034 1.00 15.88 8 O ATOM 533 OD2 ASP A 66 24.701 0.244 8.8831.00 15.87 8 O ATOM 534 N PRO A 67 26.708 −4.504 10.710 1.00 17.19 7 NATOM 535 CA PRO A 67 27.389 −5.779 10.656 1.00 17.55 6 C ATOM 536 C PROA 67 26.848 −6.912 11.484 1.00 16.75 6 C ATOM 537 O PRO A 67 27.325−8.048 11.316 1.00 16.41 8 O ATOM 538 CB PRO A 67 28.825 −5.437 11.0671.00 18.03 6 C ATOM 539 CG PRO A 67 28.778 −4.114 11.740 1.00 18.89 6 CATOM 540 CD PRO A 67 27.543 −3.413 11.265 1.00 17.99 6 C ATOM 541 N VALA 68 25.907 −6.759 12.410 1.00 16.46 7 N ATOM 542 CA VAL A 68 25.408−7.821 13.237 1.00 17.04 6 C ATOM 543 C VAL A 68 23.972 −7.571 13.6951.00 16.60 6 C ATOM 544 O VAL A 68 23.536 −6.436 13.815 1.00 17.81 8 OATOM 545 CB VAL A 68 26.150 −7.958 14.603 1.00 19.25 6 C ATOM 546 CG1VAL A 68 25.925 −9.360 15.181 1.00 18.50 6 C ATOM 547 CG2 VAL A 6827.631 −7.654 14.614 1.00 19.81 6 C ATOM 548 N LEU A 69 23.270 −8.66313.960 1.00 15.24 7 N ATOM 549 CA LEU A 69 21.938 −8.622 14.523 1.0015.34 6 C ATOM 550 C LEU A 69 22.014 −9.403 15.847 1.00 16.19 6 C ATOM551 O LEU A 69 22.241 −10.617 15.819 1.00 14.93 8 O ATOM 552 CB LEU A 6920.852 −9.255 13.665 1.00 15.39 6 C ATOM 553 CG LEU A 69 19.458 −9.22014.306 1.00 15.12 6 C ATOM 554 CD1 LEU A 69 18.923 −7.794 14.299 1.0015.02 6 C ATOM 555 CD2 LEU A 69 18.532 −10.198 13.583 1.00 17.14 6 CATOM 556 N CYH A 70 21.863 −8.714 16.971 1.00 16.02 7 N ATOM 557 CA CYHA 70 21.891 −9.395 18.261 1.00 16.43 6 C ATOM 558 C CYH A 70 20.478−9.614 18.776 1.00 17.66 6 C ATOM 559 O CYH A 70 19.735 −8.644 18.9021.00 18.21 8 O ATOM 560 CB CYH A 70 22.638 −8.521 19.285 1.00 14.65 6 CATOM 561 SG CYH A 70 24.324 −8.245 18.730 1.00 15.51 16 S ATOM 562 N THRA 71 20.122 −10.861 19.074 1.00 19.11 7 N ATOM 563 CA THR A 71 18.795−11.150 19.602 1.00 20.68 6 C ATOM 564 C THR A 71 18.929 −11.737 20.9981.00 21.80 6 C ATOM 565 O THR A 71 20.036 −11.832 21.542 1.00 23.70 8 OATOM 566 CB THR A 71 18.003 −12.115 18.691 1.00 21.33 6 C ATOM 567 OG1THR A 71 18.451 −13.462 18.910 1.00 21.84 8 O ATOM 568 CG2 THR A 7118.198 −11.785 17.218 1.00 20.37 6 C ATOM 569 N SER A 72 17.830 −12.15821.626 1.00 23.10 7 N ATOM 570 CA SER A 72 17.911 −12.762 22.953 1.0024.29 6 C ATOM 571 C SER A 72 18.323 −14.227 22.889 1.00 24.83 6 C ATOM572 O SER A 72 18.585 −14.843 23.926 1.00 26.58 8 O ATOM 573 CB SER A 7216.528 −12.722 23.632 1.00 23.63 6 C ATOM 574 OG SER A 72 15.591 −13.33722.750 1.00 24.62 8 O ATOM 575 N ARG A 73 18.346 −14.808 21.698 1.0025.24 7 N ATOM 576 CA ARG A 73 18.684 −16.207 21.513 1.00 25.43 6 C ATOM577 C ARG A 73 19.994 −16.446 20.789 1.00 23.96 6 C ATOM 578 O ARG A 7320.616 −17.492 20.987 1.00 24.45 8 O ATOM 579 CB ARG A 73 17.583 −16.89820.688 1.00 27.43 6 C ATOM 580 CG ARG A 73 16.160 −16.600 21.097 1.0029.59 6 C ATOM 581 CD ARG A 73 15.552 −17.613 22.045 1.00 29.78 6 C ATOM582 NE ARG A 73 14.244 −17.165 22.502 1.00 31.19 7 N ATOM 583 CZ ARG A73 13.059 −17.406 21.966 1.00 31.65 6 C ATOM 584 NH1 ARG A 73 12.927−18.142 20.874 1.00 31.37 7 N ATOM 585 NH2 ARG A 73 11.973 −16.89522.549 1.00 32.48 7 N ATOM 586 N CYH A 74 20.425 −15.539 19.927 1.0023.06 7 N ATOM 587 CA CYH A 74 21.658 −15.679 19.176 1.00 21.25 6 C ATOM588 C CYH A 74 22.055 −14.367 18.506 1.00 19.75 6 C ATOM 589 O CYH A 7421.308 −13.400 18.537 1.00 20.11 8 O ATOM 590 CB CYH A 74 21.503 −16.71218.041 1.00 22.29 6 C ATOM 591 SG CYH A 74 20.311 −16.169 16.777 1.0022.85 16 S ATOM 592 N ALA A 75 23.247 −14.370 17.917 1.00 18.42 7 N ATOM593 CA ALA A 75 23.754 −13.227 17.187 1.00 18.43 6 C ATOM 594 C ALA A 7524.026 −13.742 15.758 1.00 18.09 6 C ATOM 595 O ALA A 75 24.549 −14.84115.567 1.00 18.60 8 O ATOM 596 CB ALA A 75 25.007 −12.585 17.724 1.0018.72 6 C ATOM 597 N ILE A 76 23.657 −12.923 14.784 1.00 16.76 7 N ATOM598 CA ILE A 76 23.860 −13.279 13.382 1.00 16.43 6 C ATOM 599 C ILE A 7624.745 −12.208 12.744 1.00 17.72 6 C ATOM 600 O ILE A 76 24.313 −11.05512.677 1.00 17.31 8 O ATOM 601 CB ILE A 76 22.533 −13.300 12.603 1.0017.55 6 C ATOM 602 CG1 ILE A 76 21.469 −14.169 13.278 1.00 17.48 6 CATOM 603 CG2 ILE A 76 22.729 −13.789 11.169 1.00 17.08 6 C ATOM 604 CD1ILE A 76 20.494 −13.409 14.160 1.00 19.45 6 C ATOM 605 N ILE A 77 25.940−12.584 12.332 1.00 16.21 7 N ATOM 606 CA ILE A 77 26.852 −11.670 11.6661.00 16.85 6 C ATOM 607 C ILE A 77 26.269 −11.512 10.258 1.00 17.30 6 CATOM 608 O ILE A 77 25.934 −12.525 9.639 1.00 16.99 8 O ATOM 609 CB ILEA 77 28.268 −12.246 11.564 1.00 18.20 6 C ATOM 610 CG1 ILE A 77 28.798−12.576 12.964 1.00 19.73 6 C ATOM 611 CG2 ILE A 77 29.233 −11.30510.852 1.00 18.59 6 C ATOM 612 CD1 ILE A 77 28.896 −11.387 13.897 1.0020.69 6 C ATOM 613 N THR A 78 26.115 −10.274 9.825 1.00 17.26 7 N ATOM614 CA THR A 78 25.504 −10.045 8.511 1.00 16.84 6 C ATOM 615 C THR A 7826.521 −10.107 7.396 1.00 17.30 6 C ATOM 616 O THR A 78 27.604 −10.7007.503 1.00 17.35 8 O ATOM 617 CB THR A 78 24.741 −8.707 8.556 1.00 16.176 C ATOM 618 OG1 THR A 78 25.676 −7.632 8.705 1.00 16.64 8 O ATOM 619CG2 THR A 78 23.733 −8.681 9.696 1.00 16.57 6 C ATOM 620 N ARG A 7926.175 −9.542 6.239 1.00 17.52 7 N ATOM 621 CA ARG A 79 27.022 −9.5135.061 1.00 17.69 6 C ATOM 622 C ARG A 79 26.664 −8.249 4.286 1.00 17.666 C ATOM 623 O ARG A 79 25.827 −8.247 3.378 1.00 16.27 8 O ATOM 624 CBARG A 79 26.806 −10.792 4.232 1.00 19.26 6 C ATOM 625 CG ARG A 79 27.821−10.945 3.103 1.00 20.03 6 C ATOM 626 CD ARG A 79 27.965 −12.413 2.6761.00 22.06 6 C ATOM 627 NE ARG A 79 28.917 −12.520 1.569 1.00 23.24 7 NATOM 628 CZ ARG A 79 28.640 −12.296 0.289 1.00 25.29 6 C ATOM 629 NH1ARG A 79 27.414 −11.951 −0.080 1.00 25.80 7 N ATOM 630 NH2 ARG A 7929.593 −12.420 −0.639 1.00 25.28 7 N ATOM 631 N PRO A 80 27.241 −7.1274.695 1.00 17.87 7 N ATOM 632 CA PRO A 80 26.947 −5.831 4.108 1.00 18.576 C ATOM 633 C PRO A 80 26.952 −5.786 2.598 1.00 18.02 6 C ATOM 634 OPRO A 80 27.813 −6.338 1.916 1.00 18.53 8 O ATOM 635 CB PRO A 80 27.955−4.884 4.741 1.00 18.38 6 C ATOM 636 CG PRO A 80 28.225 −5.505 6.0811.00 18.76 6 C ATOM 637 CD PRO A 80 28.213 −6.999 5.812 1.00 18.81 6 CATOM 638 N GLY A 81 25.940 −5.090 2.064 1.00 18.24 7 N ATOM 639 CA GLY A81 25.824 −4.938 0.611 1.00 19.26 6 C ATOM 640 C GLY A 81 26.864 −3.9230.138 1.00 19.95 6 C ATOM 641 O GLY A 81 27.348 −4.018 −0.980 1.00 19.918 O ATOM 642 N ALA A 82 27.186 −2.928 0.966 1.00 20.24 7 N ATOM 643 CAALA A 82 28.157 −1.914 0.569 1.00 20.36 6 C ATOM 644 C ALA A 82 29.565−2.502 0.540 1.00 21.45 6 C ATOM 645 O ALA A 82 30.014 −2.923 1.600 1.0020.63 8 O ATOM 646 CB ALA A 82 28.095 −0.731 1.522 1.00 19.67 6 C ATOM647 N GLU A 83 30.222 −2.520 −0.608 1.00 21.74 7 N ATOM 648 CA GLU A 8331.561 −3.055 −0.784 1.00 21.33 6 C ATOM 649 C GLU A 83 32.571 −2.6330.278 1.00 21.21 6 C ATOM 650 O GLU A 83 33.281 −3.465 0.855 1.00 20.948 O ATOM 651 CB GLU A 83 32.125 −2.580 −2.149 1.00 22.51 6 C ATOM 652 CGGLU A 83 31.752 −4.104 −3.103 0.00 20.00 6 C ATOM 653 CD GLU A 83 32.220−5.470 −2.640 0.00 20.00 6 C ATOM 654 OE1 GLU A 83 31.406 −6.165 −1.9810.00 20.00 8 O ATOM 655 OE2 GLU A 83 33.379 −5.833 −2.924 0.00 20.00 8 OATOM 656 N SER A 84 32.667 −1.339 0.553 1.00 20.10 7 N ATOM 657 CA SER A84 33.579 −0.795 1.551 1.00 19.82 6 C ATOM 658 C SER A 84 33.262 −1.1472.995 1.00 19.64 6 C ATOM 659 O SER A 84 34.099 −0.914 3.889 1.00 19.248 O ATOM 660 CB SER A 84 33.613 0.743 1.458 1.00 20.01 6 C ATOM 661 OGSER A 84 32.328 1.267 1.805 1.00 19.32 8 O ATOM 662 N ARG A 85 32.090−1.699 3.306 1.00 18.53 7 N ATOM 663 CA ARG A 85 31.707 −2.050 4.6521.00 17.97 6 C ATOM 664 C ARG A 85 31.614 −3.551 4.904 1.00 18.87 6 CATOM 665 O ARG A 85 31.405 −3.923 6.061 1.00 16.55 8 O ATOM 666 CB ARG A85 30.326 −1.415 4.949 1.00 18.53 6 C ATOM 667 CG ARG A 85 30.320 0.1004.769 1.00 17.62 6 C ATOM 668 CD ARG A 85 29.192 0.739 5.567 1.00 17.336 C ATOM 669 NE ARG A 85 29.260 0.309 6.969 1.00 16.97 7 N ATOM 670 CZARG A 85 28.255 0.441 7.825 1.00 16.26 6 C ATOM 671 NH1 ARG A 85 27.1060.990 7.459 1.00 16.16 7 N ATOM 672 NH2 ARG A 85 28.405 0.011 9.068 1.0014.30 7 N ATOM 673 N ARG A 86 31.781 −4.411 3.891 1.00 19.50 7 N ATOM674 CA ARG A 86 31.679 −5.846 4.115 1.00 21.87 6 C ATOM 675 C ARG A 8632.661 −6.354 5.165 1.00 21.45 6 C ATOM 676 O ARG A 86 32.281 −7.1486.019 1.00 20.90 8 O ATOM 677 CB ARG A 86 31.828 −6.690 2.842 1.00 24.236 C ATOM 678 CG ARG A 86 31.336 −8.124 3.062 1.00 26.63 6 C ATOM 679 CDARG A 86 31.027 −8.797 1.743 1.00 30.30 6 C ATOM 680 NE ARG A 86 29.892−8.193 1.059 1.00 33.30 7 N ATOM 681 CZ ARG A 86 29.743 −8.164 −0.2611.00 35.57 6 C ATOM 682 NH1 ARG A 86 30.656 −8.701 −1.070 1.00 36.41 7 NATOM 683 NH2 ARG A 86 28.678 −7.590 −0.799 1.00 36.55 7 N ATOM 684 N GLYA 87 33.894 −5.877 5.167 1.00 20.95 7 N ATOM 685 CA GLY A 87 34.929−6.260 6.100 1.00 20.84 6 C ATOM 686 C GLY A 87 34.702 −5.854 7.537 1.0020.72 6 C ATOM 687 O GLY A 87 35.445 −6.271 8.442 1.00 20.75 8 O ATOM688 N GLU A 88 33.690 −5.034 7.844 1.00 18.97 7 N ATOM 689 CA GLU A 8833.375 −4.626 9.187 1.00 18.67 6 C ATOM 690 C GLU A 88 32.905 −5.79010.055 1.00 18.56 6 C ATOM 691 O GLU A 88 32.980 −5.718 11.288 1.0017.95 8 O ATOM 692 CB GLU A 88 32.266 −3.556 9.233 1.00 17.87 6 C ATOM693 CG GLU A 88 32.795 −2.260 8.621 1.00 17.40 6 C ATOM 694 CD GLU A 8831.793 −1.125 8.686 1.00 17.16 6 C ATOM 695 OE1 GLU A 88 30.889 −1.1799.545 1.00 17.99 8 O ATOM 696 OE2 GLU A 88 31.933 −0.196 7.857 1.0016.44 8 O ATOM 697 N THR A 89 32.423 −6.869 9.434 1.00 17.66 7 N ATOM698 CA THR A 89 31.993 −8.029 10.205 1.00 18.74 6 C ATOM 699 C THR A 8933.178 −8.669 10.930 1.00 19.66 6 C ATOM 700 O THR A 89 33.039 −9.18712.035 1.00 19.57 8 O ATOM 701 CB THR A 89 31.333 −9.096 9.295 1.0019.39 6 C ATOM 702 OG1 THR A 89 32.214 −9.432 8.234 1.00 19.75 8 O ATOM703 CG2 THR A 89 30.031 −8.523 8.741 1.00 19.11 6 C ATOM 704 N GLU A 9034.353 −8.641 10.300 1.00 19.95 7 N ATOM 705 CA GLU A 90 35.557 −9.23410.849 1.00 21.86 6 C ATOM 706 C GLU A 90 36.080 −8.557 12.110 1.0021.25 6 C ATOM 707 O GLU A 90 36.564 −9.251 13.012 1.00 21.17 8 O ATOM708 CB GLU A 90 36.678 −9.243 9.793 1.00 23.24 6 C ATOM 709 CG GLU A 9036.320 −9.988 8.519 1.00 27.58 6 C ATOM 710 CD GLU A 90 36.220 −11.4848.683 1.00 30.23 6 C ATOM 711 OE1 GLU A 90 35.249 −12.079 8.171 1.0032.62 8 O ATOM 712 OE2 GLU A 90 37.096 −12.101 9.328 1.00 31.88 8 O ATOM713 N ILE A 91 35.986 −7.239 12.176 1.00 20.41 7 N ATOM 714 CA ILE A 9136.482 −6.492 13.329 1.00 20.23 6 C ATOM 715 C ILE A 91 35.504 −6.47114.481 1.00 20.38 6 C ATOM 716 O ILE A 91 35.845 −6.016 15.585 1.0021.64 8 O ATOM 717 CB ILE A 91 36.910 −5.071 12.909 1.00 20.22 6 C ATOM718 CG1 ILE A 91 35.781 −4.306 12.217 1.00 19.30 6 C ATOM 719 CG2 ILE A91 38.126 −5.149 11.995 1.00 19.70 6 C ATOM 720 CD1 ILE A 91 36.123−2.832 12.060 1.00 18.76 6 C ATOM 721 N ILE A 92 34.287 −6.974 14.3001.00 20.71 7 N ATOM 722 CA ILE A 92 33.317 −7.020 15.386 1.00 20.29 6 CATOM 723 C ILE A 92 33.054 −8.437 15.868 1.00 20.58 6 C ATOM 724 O ILE A92 32.453 −8.612 16.933 1.00 20.59 8 O ATOM 725 CB ILE A 92 32.003−6.331 15.019 1.00 21.38 6 C ATOM 726 CG1 ILE A 92 31.274 −5.890 16.2961.00 21.52 6 C ATOM 727 CG2 ILE A 92 31.131 −7.253 14.174 1.00 21.71 6 CATOM 728 CD1 ILE A 92 30.238 −4.819 16.070 1.00 21.61 6 C ATOM 729 N GLUA 93 33.497 −9.439 15.111 1.00 21.73 7 N ATOM 730 CA GLU A 93 33.273−10.827 15.453 1.00 22.68 6 C ATOM 731 C GLU A 93 33.758 −11.261 16.8281.00 21.42 6 C ATOM 732 O GLU A 93 33.052 −12.008 17.499 1.00 20.00 8 OATOM 733 CB GLU A 93 33.843 −11.780 14.385 1.00 26.54 6 C ATOM 734 CGGLU A 93 33.244 −13.167 14.576 1.00 31.50 6 C ATOM 735 CD GLU A 9333.020 −14.001 13.343 1.00 34.57 6 C ATOM 736 OE1 GLU A 93 32.747−13.441 12.254 1.00 36.36 8 O ATOM 737 OE2 GLU A 93 33.118 −15.25413.475 1.00 36.18 8 O ATOM 738 N GLU A 94 34.923 −10.808 17.272 1.0019.91 7 N ATOM 739 CA GLU A 94 35.426 −11.223 18.592 1.00 18.82 6 C ATOM740 C GLU A 94 34.522 −10.782 19.725 1.00 18.38 6 C ATOM 741 O GLU A 9434.227 −11.515 20.677 1.00 16.83 8 O ATOM 742 CB GLU A 94 36.863 −10.71418.720 1.00 20.85 6 C ATOM 743 CG GLU A 94 37.463 −11.044 20.147 0.0020.00 6 C ATOM 744 CD GLU A 94 38.919 −10.694 20.332 0.00 20.00 6 C ATOM745 OE1 GLU A 94 39.581 −10.140 19.442 0.00 20.00 8 O ATOM 746 OE2 GLU A94 39.456 −10.979 21.433 0.00 20.00 8 O ATOM 747 N THR A 95 34.015−9.547 19.644 1.00 17.39 7 N ATOM 748 CA THR A 95 33.103 −9.040 20.6721.00 17.71 6 C ATOM 749 C THR A 95 31.818 −9.846 20.705 1.00 17.11 6 CATOM 750 O THR A 95 31.323 −10.205 21.772 1.00 17.49 8 O ATOM 751 CB THRA 95 32.765 −7.562 20.358 1.00 17.77 6 C ATOM 752 OG1 THR A 95 33.963−6.790 20.350 1.00 17.71 8 O ATOM 753 CG2 THR A 95 31.783 −6.967 21.3301.00 17.04 6 C ATOM 754 N VAL A 96 31.247 −10.107 19.519 1.00 18.28 7 NATOM 755 CA VAL A 96 29.983 −10.857 19.463 1.00 19.18 6 C ATOM 756 C VALA 96 30.167 −12.246 20.061 1.00 19.16 6 C ATOM 757 O VAL A 96 29.355−12.752 20.834 1.00 15.65 8 O ATOM 758 CB VAL A 96 29.460 −10.929 18.0161.00 19.21 6 C ATOM 759 CG1 VAL A 96 28.274 −11.872 17.878 1.00 19.66 6C ATOM 760 CG2 VAL A 96 29.061 −9.520 17.560 1.00 20.45 6 C ATOM 761 NGLN A 97 31.273 −12.875 19.670 1.00 20.21 7 N ATOM 762 CA GLN A 9731.615 −14.221 20.139 1.00 20.83 6 C ATOM 763 C GLN A 97 31.714 −14.27021.654 1.00 19.10 6 C ATOM 764 O GLN A 97 31.274 −15.215 22.319 1.0018.47 8 O ATOM 765 CB GLN A 97 32.926 −14.646 19.460 1.00 24.02 6 C ATOM766 CG GLN A 97 33.122 −16.154 19.440 1.00 28.94 6 C ATOM 767 CD GLN A97 32.161 −16.861 18.501 1.00 30.73 6 C ATOM 768 OE1 GLN A 97 31.385−17.681 18.991 1.00 33.19 8 O ATOM 769 NE2 GLN A 97 32.208 −16.55517.209 1.00 32.73 7 N ATOM 770 N ARG A 98 32.238 −13.211 22.274 1.0018.73 7 N ATOM 771 CA ARG A 98 32.347 −13.142 23.731 1.00 16.98 6 C ATOM772 C ARG A 98 30.990 −13.034 24.409 1.00 16.40 6 C ATOM 773 O ARG A 9830.776 −13.555 25.487 1.00 16.31 8 O ATOM 774 CB ARG A 98 33.232 −11.96224.150 1.00 18.64 6 C ATOM 775 CG ARG A 98 33.605 −12.024 25.630 1.0021.41 6 C ATOM 776 CD ARG A 98 34.641 −10.986 25.990 1.00 23.93 6 C ATOM777 NE ARG A 98 35.437 −10.503 24.865 1.00 26.86 7 N ATOM 778 CZ ARG A98 35.274 −9.263 24.385 1.00 26.97 6 C ATOM 779 NH1 ARG A 98 34.391−8.428 24.907 1.00 29.13 7 N ATOM 780 NH2 ARG A 98 36.039 −8.918 23.3751.00 29.19 7 N ATOM 781 N PHE A 99 30.015 −12.364 23.778 1.00 15.60 7 NATOM 782 CA PHE A 99 28.686 −12.247 24.364 1.00 16.73 6 C ATOM 783 C PHEA 99 27.733 −13.396 24.062 1.00 17.36 6 C ATOM 784 O PHE A 99 26.732−13.618 24.763 1.00 18.31 8 O ATOM 785 CB PHE A 99 27.998 −10.976 23.8331.00 16.35 6 C ATOM 786 CG PHE A 99 28.443 −9.737 24.567 1.00 16.90 6 CATOM 787 CD1 PHE A 99 29.297 −8.828 23.977 1.00 18.51 6 C ATOM 788 CD2PHE A 99 27.990 −9.512 25.851 1.00 16.40 6 C ATOM 789 CE1 PHE A 9929.690 −7.693 24.677 1.00 18.49 6 C ATOM 790 CE2 PHE A 99 28.376 −8.38726.560 1.00 17.86 6 C ATOM 791 CZ PHE A 99 29.230 −7.480 25.955 1.0018.42 6 C ATOM 792 N TYR A 100 28.005 −14.120 22.988 1.00 18.68 7 N ATOM793 CA TYR A 100 27.171 −15.221 22.507 1.00 19.60 6 C ATOM 794 C TYR A100 27.949 −16.493 22.227 1.00 20.98 6 C ATOM 795 O TYR A 100 28.073−16.985 21.092 1.00 20.59 8 O ATOM 796 CB TYR A 100 26.567 −14.70621.168 1.00 18.50 6 C ATOM 797 CG TYR A 100 25.488 −13.654 21.296 1.0018.50 6 C ATOM 798 CD1 TYR A 100 25.737 −12.292 21.124 1.00 18.99 6 CATOM 799 CD2 TYR A 100 24.190 −14.039 21.597 1.00 18.92 6 C ATOM 800 CE1TYR A 100 24.717 −11.364 21.253 1.00 18.06 6 C ATOM 801 CE2 TYR A 10023.163 −13.120 21.730 1.00 19.65 6 C ATOM 802 CZ TYR A 100 23.436−11.777 21.553 1.00 18.58 6 C ATOM 803 OH TYR A 100 22.420 −10.86821.684 1.00 18.53 8 O ATOM 804 N PRO A 101 28.528 −17.088 23.261 1.0021.64 7 N ATOM 805 CA PRO A 101 29.336 −18.293 23.093 1.00 22.66 6 CATOM 806 C PRO A 101 28.505 −19.455 22.589 1.00 22.95 6 C ATOM 807 O PROA 101 27.466 −19.815 23.126 1.00 24.97 8 O ATOM 808 CB PRO A 101 29.978−18.519 24.456 1.00 22.79 6 C ATOM 809 CG PRO A 101 29.126 −17.78525.422 1.00 22.22 6 C ATOM 810 CD PRO A 101 28.492 −16.654 24.672 1.0022.49 6 C ATOM 811 N GLY A 102 28.953 −20.029 21.477 1.00 24.57 7 N ATOM812 CA GLY A 102 28.276 −21.149 20.835 1.00 24.66 6 C ATOM 813 C GLY A102 26.934 −20.722 20.271 1.00 25.38 6 C ATOM 814 O GLY A 102 26.033−21.556 20.095 1.00 25.75 8 O ATOM 815 N LYS A 103 26.747 −19.424 19.9791.00 24.54 7 N ATOM 816 CA LYS A 103 25.472 −18.951 19.456 1.00 24.39 6C ATOM 817 C LYS A 103 25.623 −17.874 18.384 1.00 23.38 6 C ATOM 818 OLYS A 103 24.801 −16.954 18.331 1.00 22.41 8 O ATOM 819 CB LYS A 10324.593 −18.404 20.582 1.00 26.13 6 C ATOM 820 CG LYS A 103 23.945−19.436 21.494 1.00 27.62 6 C ATOM 821 CD LYS A 103 23.110 −18.73222.549 1.00 30.03 6 C ATOM 822 CE LYS A 103 22.439 −19.760 23.457 1.0031.01 6 C ATOM 823 NZ LYS A 103 22.005 −19.148 24.739 1.00 30.98 7 NATOM 824 N VAL A 104 26.655 −17.986 17.568 1.00 21.14 7 N ATOM 825 CAVAL A 104 26.902 −17.009 16.508 1.00 22.00 6 C ATOM 826 C VAL A 10426.635 −17.646 15.149 1.00 22.46 6 C ATOM 827 O VAL A 104 27.267 −18.63614.774 1.00 24.42 8 O ATOM 828 CB VAL A 104 28.342 −16.472 16.516 1.0022.01 6 C ATOM 829 CG1 VAL A 104 28.578 −15.530 15.339 1.00 21.75 6 CATOM 830 CG2 VAL A 104 28.596 −15.724 17.817 1.00 21.75 6 C ATOM 831 NGLU A 105 25.720 −17.053 14.410 1.00 20.64 7 N ATOM 832 CA GLU A 10525.318 −17.517 13.090 1.00 21.19 6 C ATOM 833 C GLU A 105 25.817 −16.50012.068 1.00 20.81 6 C ATOM 834 O GLU A 105 26.237 −15.416 12.490 1.0020.45 8 O ATOM 835 CB GLU A 105 23.799 −17.603 13.031 1.00 22.28 6 CATOM 836 CG GLU A 105 23.102 −18.460 14.054 1.00 24.14 6 C ATOM 837 CDGLU A 105 23.011 −19.935 13.723 1.00 25.23 6 C ATOM 838 OE1 GLU A 10523.503 −20.367 12.663 1.00 24.94 8 O ATOM 839 OE2 GLU A 105 22.428−20.685 14.548 1.00 25.76 8 O ATOM 840 N ARG A 106 25.790 −16.822 10.7781.00 20.46 7 N ATOM 841 CA ARG A 106 26.282 −15.846 9.815 1.00 20.88 6 CATOM 842 C ARG A 106 25.533 −15.930 8.483 1.00 20.65 6 C ATOM 843 O ARGA 106 25.104 −17.008 8.103 1.00 18.99 8 O ATOM 844 CB ARG A 106 27.780−16.036 9.572 1.00 23.75 6 C ATOM 845 CG ARG A 106 28.220 −17.442 9.2491.00 28.27 6 C ATOM 846 CD ARG A 106 29.625 −17.572 8.744 1.00 32.56 6 CATOM 847 NE ARG A 106 30.758 −17.238 9.536 1.00 36.69 7 N ATOM 848 CZARG A 106 31.024 −16.882 10.770 1.00 38.12 6 C ATOM 849 NH1 ARG A 10630.083 −16.728 11.677 1.00 39.25 7 N ATOM 850 NH2 ARG A 106 32.284−16.653 11.151 1.00 39.60 7 N ATOM 851 N ILE A 107 25.431 −14.789 7.8221.00 19.08 7 N ATOM 852 CA ILE A 107 24.821 −14.735 6.492 1.00 19.20 6 CATOM 853 C ILE A 107 25.933 −15.092 5.511 1.00 20.60 6 C ATOM 854 O ILEA 107 27.068 −14.684 5.761 1.00 20.44 8 O ATOM 855 CB ILE A 107 24.314−13.323 6.164 1.00 17.34 6 C ATOM 856 CG1 ILE A 107 23.277 −12.864 7.1721.00 17.26 6 C ATOM 857 CG2 ILE A 107 23.792 −13.246 4.720 1.00 17.31 6C ATOM 858 CD1 ILE A 107 21.982 −13.637 7.234 1.00 18.86 6 C ATOM 859 NGLU A 108 25.637 −15.804 4.423 1.00 22.59 7 N ATOM 860 CA GLU A 10826.651 −16.147 3.451 1.00 25.12 6 C ATOM 861 C GLU A 108 26.250 −15.7572.022 1.00 24.79 6 C ATOM 862 O GLU A 108 25.096 −15.437 1.777 1.0025.02 8 O ATOM 863 CB GLU A 108 26.855 −17.647 3.344 1.00 28.51 6 C ATOM864 CG GLU A 108 27.198 −18.470 4.549 1.00 32.86 6 C ATOM 865 CD GLU A108 27.174 −19.938 4.126 1.00 35.94 6 C ATOM 866 OE1 GLU A 108 26.667−20.241 3.031 1.00 37.52 8 O ATOM 867 OE2 GLU A 108 27.681 −20.735 4.9351.00 38.02 8 O ATOM 868 N ALA A 109 27.206 −15.832 1.099 1.00 24.76 7 NATOM 869 CA ALA A 109 26.860 −15.518 −0.296 1.00 25.18 6 C ATOM 870 CALA A 109 25.866 −16.570 −0.768 1.00 24.97 6 C ATOM 871 O ALA A 10925.843 −17.699 −0.281 1.00 23.19 8 O ATOM 872 CB ALA A 109 28.099−15.557 −1.178 1.00 26.77 6 C ATOM 873 N CPR A 110 24.995 −16.198 −1.7021.00 24.48 7 N ATOM 874 CA CPR A 110 24.957 −14.885 −2.318 1.00 24.48 6C ATOM 875 C CPR A 110 24.047 −13.865 −1.654 1.00 24.12 6 C ATOM 876 OCPR A 110 23.522 −12.933 −2.286 1.00 23.83 8 O ATOM 877 CB CPR A 11024.425 −15.250 −3.714 1.00 24.65 6 C ATOM 878 CG CPR A 110 23.443−16.345 −3.448 1.00 24.70 6 C ATOM 879 CD CPR A 110 23.976 −17.115−2.271 1.00 24.77 6 C ATOM 880 N GLY A 111 23.857 −13.986 −0.352 1.0022.42 7 N ATOM 881 CA GLY A 111 22.996 −13.089 0.416 1.00 21.93 6 C ATOM882 C GLY A 111 23.797 −11.865 0.861 1.00 21.71 6 C ATOM 883 O GLY A 11125.008 −11.883 1.016 1.00 21.47 8 O ATOM 884 N THR A 112 23.075 −10.7861.058 1.00 21.73 7 N ATOM 885 CA THR A 112 23.649 −9.490 1.480 1.0020.56 6 C ATOM 886 C THR A 112 22.691 −8.974 2.532 1.00 20.10 6 C ATOM887 O THR A 112 21.458 −8.981 2.324 1.00 17.76 8 O ATOM 888 CB THR A 11223.733 −8.793 0.105 1.00 23.31 6 C ATOM 889 OG1 THR A 112 25.076 −8.697−0.421 1.00 23.48 8 O ATOM 890 CG2 THR A 112 22.988 −7.501 0.043 1.0021.75 6 C ATOM 891 N VAL A 113 23.134 −8.610 3.748 1.00 17.43 7 N ATOM892 CA VAL A 113 22.222 −8.105 4.769 1.00 17.82 6 C ATOM 893 C VAL A 11322.919 −6.983 5.555 1.00 17.33 6 C ATOM 894 O VAL A 113 24.080 −7.1665.880 1.00 16.70 8 O ATOM 895 CB VAL A 113 21.757 −9.093 5.851 1.0017.34 6 C ATOM 896 CG1 VAL A 113 20.962 −8.438 6.990 1.00 17.11 6 C ATOM897 CG2 VAL A 113 20.848 −10.187 5.303 1.00 17.73 6 C ATOM 898 N GLU A114 22.218 −5.907 5.853 1.00 17.12 7 N ATOM 899 CA GLU A 114 22.736−4.838 6.705 1.00 17.08 6 C ATOM 900 C GLU A 114 21.636 −4.708 7.7681.00 16.97 6 C ATOM 901 O GLU A 114 20.498 −4.427 7.395 1.00 15.88 8 OATOM 902 CB GLU A 114 23.080 −3.517 6.038 1.00 16.82 6 C ATOM 903 CG GLUA 114 24.358 −3.636 5.228 1.00 16.48 6 C ATOM 904 CD GLU A 114 24.735−2.441 4.384 1.00 17.32 6 C ATOM 905 OE1 GLU A 114 24.217 −1.334 4.6211.00 17.04 8 O ATOM 906 OE2 GLU A 114 25.572 −2.639 3.476 1.00 18.05 8 OATOM 907 N ALA A 115 21.976 −4.910 9.052 1.00 16.45 7 N ATOM 908 CA ALAA 115 21.001 −4.904 10.126 1.00 15.18 6 C ATOM 909 C ALA A 115 20.195−3.657 10.379 1.00 15.13 6 C ATOM 910 O ALA A 115 19.192 −3.705 11.0931.00 14.40 8 O ATOM 911 CB ALA A 115 21.584 −5.425 11.457 1.00 15.94 6 CATOM 912 N GLY A 116 20.513 −2.532 9.750 1.00 15.78 7 N ATOM 913 CA GLYA 116 19.739 −1.300 9.858 1.00 16.57 6 C ATOM 914 C GLY A 116 18.400−1.514 9.137 1.00 16.27 6 C ATOM 915 O GLY A 116 17.425 −0.790 9.3221.00 15.64 8 O ATOM 916 N ASP A 117 18.322 −2.557 8.301 1.00 16.72 7 NATOM 917 CA ASP A 117 17.138 −2.955 7.572 1.00 17.01 6 C ATOM 918 C ASPA 117 16.229 −3.841 8.430 1.00 17.80 6 C ATOM 919 O ASP A 117 15.163−4.258 7.989 1.00 19.09 8 O ATOM 920 CB ASP A 117 17.523 −3.737 6.3071.00 16.92 6 C ATOM 921 CG ASP A 117 17.733 −2.859 5.089 1.00 16.64 6 CATOM 922 OD1 ASP A 117 16.860 −1.992 4.855 1.00 16.06 8 O ATOM 923 OD2ASP A 117 18.751 −3.034 4.375 1.00 16.26 8 O ATOM 924 N ILE A 118 16.663−4.140 9.660 1.00 17.25 7 N ATOM 925 CA ILE A 118 15.904 −5.005 10.5591.00 16.61 6 C ATOM 926 C ILE A 118 15.345 −4.305 11.776 1.00 17.42 6 CATOM 927 O ILE A 118 16.031 −3.687 12.606 1.00 16.87 8 O ATOM 928 CB ILEA 118 16.762 −6.226 10.972 1.00 16.59 6 C ATOM 929 CG1 ILE A 118 17.276−6.961 9.731 1.00 16.43 6 C ATOM 930 CG2 ILE A 118 15.939 −7.203 11.8331.00 16.16 6 C ATOM 931 CD1 ILE A 118 18.284 −8.065 9.996 1.00 17.93 6 CATOM 932 N MET A 119 14.017 −4.446 11.956 1.00 17.12 7 N ATOM 933 CA META 119 13.310 −3.881 13.086 1.00 17.19 6 C ATOM 934 C MET A 119 12.711−4.964 13.991 1.00 17.81 6 C ATOM 935 O MET A 119 11.854 −5.722 13.5511.00 17.29 8 O ATOM 936 CB MET A 119 12.194 −2.941 12.624 1.00 17.53 6 CATOM 937 CG MET A 119 11.537 −2.207 13.788 1.00 19.81 6 C ATOM 938 SDMET A 119 10.283 −1.020 13.276 1.00 18.46 16 S ATOM 939 CE MET A 1199.142 −2.101 12.395 1.00 21.15 6 C ATOM 940 N MET A 120 13.168 −5.06415.235 1.00 15.58 7 N ATOM 941 CA MET A 120 12.710 −6.059 16.191 1.0015.75 6 C ATOM 942 C MET A 120 11.492 −5.605 16.973 1.00 15.97 6 C ATOM943 O MET A 120 11.515 −4.571 17.660 1.00 16.43 8 O ATOM 944 CB MET A120 13.834 −6.355 17.205 1.00 16.59 6 C ATOM 945 CG MET A 120 13.470−7.291 18.336 1.00 16.54 6 C ATOM 946 SD MET A 120 14.890 −7.715 19.4071.00 17.57 16 S ATOM 947 CE MET A 120 14.917 −6.219 20.413 1.00 18.74 6C ATOM 948 N VAL A 121 10.420 −6.377 16.877 1.00 17.00 7 N ATOM 949 CAVAL A 121 9.174 −6.081 17.602 1.00 17.56 6 C ATOM 950 C VAL A 121 8.827−7.363 18.360 1.00 19.01 6 C ATOM 951 O VAL A 121 8.249 −8.249 17.7311.00 17.79 8 O ATOM 952 CB VAL A 121 7.984 −5.707 16.710 1.00 18.36 6 CATOM 953 CG1 VAL A 121 6.758 −5.327 17.549 1.00 16.86 6 C ATOM 954 CG2VAL A 121 8.347 −4.562 15.778 1.00 17.67 6 C ATOM 955 N GLY A 122 9.213−7.456 19.632 1.00 19.78 7 N ATOM 956 CA GLY A 122 8.928 −8.721 20.3411.00 22.19 6 C ATOM 957 C GLY A 122 9.821 −9.791 19.712 1.00 22.59 6 CATOM 958 O GLY A 122 11.020 −9.550 19.489 1.00 21.74 8 O ATOM 959 N ASPA 123 9.263 −10.955 19.383 1.00 22.60 7 N ATOM 960 CA ASP A 123 10.091−11.996 18.754 1.00 23.03 6 C ATOM 961 C ASP A 123 9.973 −11.965 17.2301.00 22.78 6 C ATOM 962 O ASP A 123 10.463 −12.863 16.527 1.00 23.84 8 OATOM 963 CB ASP A 123 9.719 −13.361 19.325 1.00 24.99 6 C ATOM 964 CGASP A 123 9.970 −13.510 20.809 1.00 26.48 6 C ATOM 965 OD1 ASP A 12310.944 −12.932 21.341 1.00 26.50 8 O ATOM 966 OD2 ASP A 123 9.179−14.222 21.473 1.00 27.69 8 O ATOM 967 N HIS A 124 9.342 −10.933 16.6701.00 22.44 7 N ATOM 968 CA HIS A 124 9.184 −10.808 15.225 1.00 20.66 6 CATOM 969 C HIS A 124 10.207 −9.801 14.696 1.00 20.78 6 C ATOM 970 O HISA 124 10.418 −8.767 15.340 1.00 20.50 8 O ATOM 971 CB HIS A 124 7.785−10.357 14.790 1.00 20.71 6 C ATOM 972 CG HIS A 124 7.598 −10.514 13.3061.00 20.90 6 C ATOM 973 ND1 HIS A 124 7.243 −11.730 12.751 1.00 21.98 7N ATOM 974 CD2 HIS A 124 7.718 −9.649 12.273 1.00 20.62 6 C ATOM 975 CE1HIS A 124 7.147 −11.599 11.432 1.00 21.32 6 C ATOM 976 NE2 HIS A 1247.432 −10.342 11.120 1.00 20.94 7 N ATOM 977 N PHE A 125 10.823 −10.12913.566 1.00 18.77 7 N ATOM 978 CA PHE A 125 11.835 −9.259 12.964 1.0018.58 6 C ATOM 979 C PHE A 125 11.421 −8.813 11.568 1.00 18.44 6 C ATOM980 O PHE A 125 11.288 −9.638 10.663 1.00 17.19 8 O ATOM 981 CB PHE A125 13.204 −9.959 12.921 1.00 18.85 6 C ATOM 982 CG PHE A 125 13.817−10.154 14.282 1.00 19.01 6 C ATOM 983 CD1 PHE A 125 13.413 −11.22915.068 1.00 20.24 6 C ATOM 984 CD2 PHE A 125 14.765 −9.287 14.783 1.0018.97 6 C ATOM 985 CE1 PHE A 125 13.971 −11.409 16.330 1.00 19.75 6 CATOM 986 CE2 PHE A 125 15.323 −9.454 16.032 1.00 19.58 6 C ATOM 987 CZPHE A 125 14.910 −10.531 16.805 1.00 20.22 6 C ATOM 988 N TYR A 12611.186 −7.508 11.386 1.00 18.48 7 N ATOM 989 CA TYR A 126 10.789 −6.99210.068 1.00 17.77 6 C ATOM 990 C TYR A 126 12.069 −6.643 9.315 1.0017.48 6 C ATOM 991 O TYR A 126 12.912 −5.919 9.853 1.00 17.76 8 O ATOM992 CB TYR A 126 9.935 −5.729 10.135 1.00 17.74 6 C ATOM 993 CG TYR A126 8.579 −5.972 10.757 1.00 17.43 6 C ATOM 994 CD1 TYR A 126 8.398−5.795 12.111 1.00 18.79 6 C ATOM 995 CD2 TYR A 126 7.498 −6.374 9.9891.00 18.61 6 C ATOM 996 CE1 TYR A 126 7.166 −6.010 12.713 1.00 18.91 6 CATOM 997 CE2 TYR A 126 6.256 −6.595 10.569 1.00 19.64 6 C ATOM 998 CZTYR A 126 6.108 −6.412 11.927 1.00 20.01 6 C ATOM 999 OH TYR A 126 4.876−6.621 12.534 1.00 19.92 8 O ATOM 1000 N ILE A 127 12.216 −7.179 8.1161.00 16.69 7 N ATOM 1001 CA LE A 127 13.408 −6.978 7.318 1.00 16.11 6 CATOM 1002 C ILE A 127 13.140 −6.275 5.994 1.00 16.73 6 C ATOM 1003 O ILEA 127 12.428 −6.831 5.153 1.00 15.46 8 O ATOM 1004 CB ILE A 127 14.041−8.361 7.004 1.00 16.81 6 C ATOM 1005 CG1 ILE A 127 14.370 −9.160 8.2701.00 17.54 6 C ATOM 1006 CG2 ILE A 127 15.302 −8.146 6.170 1.00 15.38 6C ATOM 1007 CD1 ILE A 127 14.843 −10.572 7.962 1.00 18.57 6 C ATOM 1008N GLY A 128 13.716 −5.086 5.803 1.00 16.59 7 N ATOM 1009 CA GLY A 12813.506 −4.374 4.545 1.00 17.40 6 C ATOM 1010 C GLY A 128 14.355 −4.8953.390 1.00 19.28 6 C ATOM 1011 O GLY A 128 15.517 −5.313 3.512 1.0018.81 8 O ATOM 1012 N GLU A 129 13.740 −4.901 2.200 1.00 18.92 7 N ATOM1013 CA GLU A 129 14.410 −5.317 0.974 1.00 18.60 6 C ATOM 1014 C GLU A129 14.956 −4.005 0.399 1.00 18.73 6 C ATOM 1015 O GLU A 129 14.176−3.227 −0.150 1.00 18.40 8 O ATOM 1016 CB GLU A 129 13.520 −6.031 −0.0301.00 18.87 6 C ATOM 1017 CG GLU A 129 14.251 −6.404 −1.330 1.00 19.11 6C ATOM 1018 CD GLU A 129 13.317 −7.047 −2.344 1.00 21.11 6 C ATOM 1019OE1 GLU A 129 12.125 −6.689 −2.337 1.00 21.19 8 O ATOM 1020 OE2 GLU A129 13.776 −7.906 −3.127 1.00 21.49 8 O ATOM 1021 N SER A 130 16.240−3.742 0.551 1.00 17.84 7 N ATOM 1022 CA SER A 130 16.789 −2.474 0.0651.00 17.66 6 C ATOM 1023 C SER A 130 17.951 −2.662 −0.877 1.00 17.82 6 CATOM 1024 O SER A 130 18.185 −3.763 −1.376 1.00 18.37 8 O ATOM 1025 CBSER A 130 17.252 −1.705 1.331 1.00 18.49 6 C ATOM 1026 OG SER A 13018.354 −2.416 1.889 1.00 17.00 8 O ATOM 1027 N ALA A 131 18.718 −1.591−1.105 1.00 18.18 7 N ATOM 1028 CA ALA A 131 19.895 −1.687 −1.966 1.0019.72 6 C ATOM 1029 C ALA A 131 21.026 −2.401 −1.227 1.00 19.78 6 C ATOM1030 O ALA A 131 21.985 −2.873 −1.852 1.00 19.62 8 O ATOM 1031 CB ALA A131 20.365 −0.299 −2.379 1.00 20.76 6 C ATOM 1032 N ARG A 132 20.920−2.464 0.099 1.00 19.88 7 N ATOM 1033 CA ARG A 132 21.919 −3.100 0.9451.00 19.48 6 C ATOM 1034 C ARG A 132 21.518 −4.486 1.428 1.00 19.66 6 CATOM 1035 O ARG A 132 22.389 −5.305 1.728 1.00 22.44 8 O ATOM 1036 CBARG A 132 22.162 −2.204 2.166 1.00 18.99 6 C ATOM 1037 CG ARG A 13222.607 −0.789 1.816 1.00 19.20 6 C ATOM 1038 CD ARG A 132 24.025 −0.8081.252 1.00 19.21 6 C ATOM 1039 NE ARG A 132 24.449 0.539 0.852 1.0019.49 7 N ATOM 1040 CZ ARG A 132 24.902 1.409 1.748 1.00 20.42 6 C ATOM1041 NH1 ARG A 132 24.992 1.066 3.033 1.00 20.41 7 N ATOM 1042 NH2 ARG A132 25.305 2.641 1.440 1.00 20.39 7 N ATOM 1043 N THR A 133 20.243−4.789 1.553 1.00 17.40 7 N ATOM 1044 CA THR A 133 19.748 −6.080 2.0011.00 17.55 6 C ATOM 1045 C THR A 133 18.910 −6.718 0.890 1.00 17.95 6 CATOM 1046 O THR A 133 17.809 −6.228 0.675 1.00 16.30 8 O ATOM 1047 CBTHR A 133 18.889 −5.928 3.264 1.00 17.41 6 C ATOM 1048 OG1 THR A 13319.752 −5.471 4.322 1.00 16.82 8 O ATOM 1049 CG2 THR A 133 18.258 −7.2323.735 1.00 19.29 6 C ATOM 1050 N ASN A 134 19.427 −7.776 0.284 1.0017.65 7 N ATOM 1051 CA ASN A 134 18.680 −8.426 −0.803 1.00 17.36 6 CATOM 1052 C ASN A 134 17.788 −9.543 −0.288 1.00 17.32 6 C ATOM 1053 OASN A 134 17.869 −9.994 0.851 1.00 16.56 8 O ATOM 1054 CB ASN A 13419.630 −8.857 −1.900 1.00 17.19 6 C ATOM 1055 CG ASN A 134 20.589 −9.972−1.571 1.00 17.42 6 C ATOM 1056 OD1 ASN A 134 20.444 −10.674 −0.570 1.0017.45 8 O ATOM 1057 ND2 ASN A 134 21.590 −10.142 −2.434 1.00 17.63 7 NATOM 1058 N ALA A 135 16.858 −10.002 −1.131 1.00 17.60 7 N ATOM 1059 CAALA A 135 15.916 −11.056 −0.776 1.00 18.44 6 C ATOM 1060 C ALA A 13516.555 −12.362 −0.335 1.00 18.49 6 C ATOM 1061 O ALA A 135 16.001−13.082 0.507 1.00 18.20 8 O ATOM 1062 CB ALA A 135 15.013 −11.305−1.991 1.00 19.02 6 C ATOM 1063 N GLU A 136 17.711 −12.707 −0.888 1.0018.70 7 N ATOM 1064 CA GLU A 136 18.405 −13.942 −0.507 1.00 19.08 6 CATOM 1065 C GLU A 136 18.928 −13.779 0.927 1.00 18.39 6 C ATOM 1066 OGLU A 136 18.832 −14.694 1.726 1.00 18.42 8 O ATOM 1067 CB GLU A 13619.552 −14.291 −1.432 1.00 19.03 6 C ATOM 1068 CG GLU A 136 20.480−15.402 −0.996 1.00 20.57 6 C ATOM 1069 CD GLU A 136 19.848 −16.746−0.730 1.00 21.96 6 C ATOM 1070 OE1 GLU A 136 18.726 −17.004 −1.231 1.0022.96 8 O ATOM 1071 OE2 GLU A 136 20.460 −17.575 −0.013 1.00 21.43 8 OATOM 1072 N GLY A 137 19.449 −12.595 1.228 1.00 18.02 7 N ATOM 1073 CAGLY A 137 19.971 −12.296 2.565 1.00 17.74 6 C ATOM 1074 C GLY A 13718.835 −12.329 3.577 1.00 17.14 6 C ATOM 1075 O GLY A 137 18.955 −12.8714.678 1.00 17.23 8 O ATOM 1076 N ALA A 138 17.714 −11.715 3.223 1.0016.38 7 N ATOM 1077 CA ALA A 138 16.538 −11.709 4.082 1.00 16.52 6 CATOM 1078 C ALA A 138 16.106 −13.145 4.347 1.00 17.36 6 C ATOM 1079 OALA A 138 15.761 −13.520 5.462 1.00 17.35 8 O ATOM 1080 CB ALA A 13815.379 −10.963 3.422 1.00 17.23 6 C ATOM 1081 N ARG A 139 16.077 −13.9733.299 1.00 18.51 7 N ATOM 1082 CA ARG A 139 15.693 −15.375 3.397 1.0019.63 6 C ATOM 1083 C ARG A 139 16.580 −16.126 4.387 1.00 20.20 6 C ATOM1084 O ARG A 139 16.094 −16.837 5.254 1.00 19.75 8 O ATOM 1085 CB ARG A139 15.824 −16.045 2.023 1.00 22.27 6 C ATOM 1086 CG ARG A 139 15.388−17.507 2.010 1.00 24.93 6 C ATOM 1087 CD ARG A 139 15.868 −18.202 0.7461.00 26.99 6 C ATOM 1088 NE ARG A 139 17.285 −18.520 0.760 1.00 29.07 7N ATOM 1089 CZ ARG A 139 17.862 −19.494 1.455 1.00 30.03 6 C ATOM 1090NH1 ARG A 139 17.108 −20.274 2.230 1.00 29.98 7 N ATOM 1091 NH2 ARG A139 19.175 −19.692 1.382 1.00 29.77 7 N ATOM 1092 N GLN A 140 17.897−15.962 4.230 1.00 19.21 7 N ATOM 1093 CA GLN A 140 18.846 −16.621 5.1191.00 18.71 6 C ATOM 1094 C GLN A 140 18.610 −16.188 6.557 1.00 18.45 6 CATOM 1095 O GLN A 140 18.615 −17.028 7.446 1.00 17.58 8 O ATOM 1096 CBGLN A 140 20.271 −16.310 4.665 1.00 18.99 6 C ATOM 1097 CG GLN A 14020.725 −17.195 3.510 1.00 20.49 6 C ATOM 1098 CD GLN A 140 22.171−16.865 3.174 1.00 20.82 6 C ATOM 1099 OE1 GLN A 140 22.993 −16.7694.084 1.00 21.16 8 O ATOM 1100 NE2 GLN A 140 22.449 −16.694 1.889 1.0021.04 7 N ATOM 1101 N MET A 141 18.402 −14.889 6.787 1.00 18.26 7 N ATOM1102 CA MET A 141 18.151 −14.372 8.127 1.00 17.13 6 C ATOM 1103 C MET A141 16.852 −14.913 8.701 1.00 16.54 6 C ATOM 1104 O MET A 141 16.758−15.321 9.849 1.00 15.43 8 O ATOM 1105 CB MET A 141 18.133 −12.837 8.1061.00 17.64 6 C ATOM 1106 CG MET A 141 17.909 −12.225 9.487 1.00 18.24 6C ATOM 1107 SD MET A 141 19.327 −12.468 10.592 1.00 17.25 16 S ATOM 1108CE MET A 141 20.480 −11.262 9.939 1.00 17.97 6 C ATOM 1109 N ILE A 14215.774 −14.932 7.886 1.00 15.84 7 N ATOM 1110 CA ILE A 142 14.511−15.465 8.438 1.00 17.22 6 C ATOM 1111 C ILE A 142 14.678 −26.924 8.8411.00 17.33 6 C ATOM 1112 O ILE A 142 14.156 −17.341 9.883 1.00 18.42 8 OATOM 1113 CB ILE A 142 13.337 −15.274 7.452 1.00 18.00 6 C ATOM 1114 CG1ILE A 142 13.000 −13.767 7.422 1.00 19.18 6 C ATOM 1115 CG2 ILE A 14212.122 −16.071 7.868 1.00 16.81 6 C ATOM 1116 CD1 ILE A 142 12.176−13.316 6.237 1.00 17.82 6 C ATOM 1117 N ALA A 143 15.406 −17.722 8.0601.00 18.10 7 N ATOM 1118 CA ALA A 143 15.611 −19.139 8.361 1.00 17.33 6C ATOM 1119 C ALA A 143 16.365 −19.324 9.677 1.00 17.51 6 C ATOM 1120 OALA A 143 16.020 −20.189 10.479 1.00 17.31 8 O ATOM 1121 CB ALA A 14316.309 −19.842 7.209 1.00 16.91 6 C ATOM 1122 N ILE A 144 17.378 −18.4979.914 1.00 17.89 7 N ATOM 1123 CA ILE A 144 18.154 −18.577 11.156 1.0018.83 6 C ATOM 1124 C ILE A 144 17.275 −18.234 12.343 1.00 19.22 6 CATOM 1125 O ILE A 144 17.256 −18.925 13.367 1.00 20.22 8 O ATOM 1126 CBILE A 144 19.369 −17.639 11.102 1.00 17.51 6 C ATOM 1127 CG1 ILE A 14420.404 −18.130 10.100 1.00 17.59 6 C ATOM 1128 CG2 ILE A 144 19.998−17.530 12.493 1.00 18.52 6 C ATOM 1129 CD1 ILE A 144 21.390 −17.0489.690 1.00 17.88 6 C ATOM 1130 N LEU A 145 16.517 −17.139 12.223 1.0019.03 7 N ATOM 1131 CA LEU A 145 15.599 −16.715 13.270 1.00 18.79 6 CATOM 1132 C LEU A 145 14.612 −17.849 13.566 1.00 19.52 6 C ATOM 1133 OLEU A 145 14.344 −18.141 14.730 1.00 20.05 8 O ATOM 1134 CB LEU A 14514.846 −15.435 12.905 1.00 17.09 6 C ATOM 1135 CG LEU A 145 15.716−14.169 12.814 1.00 16.79 6 C ATOM 1136 CD1 LEU A 145 15.008 −13.00412.133 1.00 17.04 6 C ATOM 1137 CD2 LEU A 145 16.115 −13.742 14.227 1.0016.63 6 C ATOM 1138 N GLU A 146 14.075 −18.485 12.522 1.00 20.35 7 NATOM 1139 CA GLU A 146 13.137 −19.599 12.751 1.00 21.26 6 C ATOM 1140 CGLU A 146 13.804 −20.770 13.447 1.00 20.63 6 C ATOM 1141 O GLU A 14613.162 −21.386 14.317 1.00 21.46 8 O ATOM 1142 CB GLU A 146 12.470−20.015 11.435 1.00 21.41 6 C ATOM 1143 CG GLU A 146 11.438 −18.98610.985 1.00 23.10 6 C ATOM 1144 CD GLU A 146 10.736 −19.275 9.679 1.0024.14 6 C ATOM 1145 OE1 GLU A 146 11.046 −20.254 8.969 1.00 24.98 8 OATOM 1146 OE2 GLU A 146 9.831 −18.473 9.346 1.00 23.46 8 O ATOM 1147 NLYS A 147 15.048 −21.097 13.150 1.00 20.86 7 N ATOM 1148 CA LYS A 14715.813 −22.175 13.773 1.00 21.74 6 C ATOM 1149 C LYS A 147 15.880−21.943 15.279 1.00 22.20 6 C ATOM 1150 O LYS A 147 15.875 −22.86916.103 1.00 22.23 8 O ATOM 1151 CB LYS A 147 17.217 −22.285 13.160 1.0022.16 6 C ATOM 1152 CG LYS A 147 18.166 −23.243 13.859 1.00 23.78 6 CATOM 1153 CD LYS A 147 19.637 −22.913 13.675 1.00 25.60 6 C ATOM 1154 CELYS A 147 20.514 −23.627 14.701 1.00 26.58 6 C ATOM 1155 NZ LYS A 14721.969 −23.381 14.460 1.00 27.02 7 N ATOM 1156 N HIS A 148 15.905−20.667 15.664 1.00 21.59 7 N ATOM 1157 CA HIS A 148 15.949 −20.24817.050 1.00 22.17 6 C ATOM 1158 C HIS A 148 14.593 −19.888 17.612 1.0022.33 6 C ATOM 1159 O HIS A 148 14.527 −19.315 18.720 1.00 20.28 8 OATOM 1160 CB HIS A 148 16.900 −19.041 17.196 1.00 22.19 6 C ATOM 1161 CGHIS A 148 18.307 −19.517 16.952 1.00 22.86 6 C ATOM 1162 ND1 HIS A 14819.083 −20.058 17.948 1.00 22.69 7 N ATOM 1163 CD2 HIS A 148 19.051−19.534 15.829 1.00 22.82 6 C ATOM 1164 CE1 HIS A 148 20.264 −20.38717.442 1.00 23.14 6 C ATOM 1165 NE2 HIS A 148 20.265 −20.076 16.160 1.0023.72 7 N ATOM 1166 N GLY A 149 13.478 −20.264 16.994 1.00 22.29 7 NATOM 1167 CA GLY A 149 12.167 −19.973 17.549 1.00 23.27 6 C ATOM 1168 CGLY A 149 11.672 −18.550 17.374 1.00 22.39 6 C ATOM 1169 O GLY A 14910.639 −18.193 17.957 1.00 22.59 8 O ATOM 1170 N LEU A 150 12.355−17.730 16.594 1.00 21.60 7 N ATOM 1171 CA LEU A 150 11.908 −16.36416.354 1.00 22.15 6 C ATOM 1172 C LEU A 150 11.232 −16.311 14.985 1.0022.27 6 C ATOM 1173 O LEU A 150 11.243 −17.307 14.247 1.00 22.47 8 OATOM 1174 CB LEU A 150 13.095 −15.398 16.444 1.00 20.77 6 C ATOM 1175 CGLEU A 150 13.781 −15.424 17.822 1.00 19.86 6 C ATOM 1176 CD1 LEU A 15015.155 −14.765 17.777 1.00 18.07 6 C ATOM 1177 CD2 LEU A 150 12.875−14.733 18.827 1.00 21.34 6 C ATOM 1178 N SER A 151 10.649 −15.17514.628 1.00 23.16 7 N ATOM 1179 CA SER A 151 9.986 −15.062 13.326 1.0023.76 6 C ATOM 1180 C SER A 151 10.484 −13.850 12.555 1.00 22.85 6 CATOM 1181 O SER A 151 11.145 −12.977 13.131 1.00 22.69 8 O ATOM 1182 CBSER A 151 8.470 −15.067 13.546 1.00 25.91 6 C ATOM 1183 OG SER A 1518.034 −13.878 14.191 1.00 29.31 8 O ATOM 1184 N GLY A 152 10.209 −13.78411.252 1.00 20.90 7 N ATOM 1185 CA GLY A 152 10.662 −12.648 10.459 1.0019.94 6 C ATOM 1186 C GLY A 152 9.821 −12.500 9.196 1.00 20.29 6 C ATOM1187 O GLY A 152 9.175 −13.470 8.818 1.00 21.01 8 O ATOM 1188 N SER A153 9.826 −11.335 8.577 1.00 19.88 7 N ATOM 1189 CA SER A 153 9.057−11.098 7.356 1.00 19.63 6 C ATOM 1190 C SER A 153 9.761 −10.031 6.5311.00 20.62 6 C ATOM 1191 O SER A 153 10.612 −9.332 7.103 1.00 20.96 8 OATOM 1192 CB SER A 153 7.620 −10.695 7.670 1.00 20.15 6 C ATOM 1193 OGSER A 153 7.541 −9.530 8.465 1.00 22.41 8 O ATOM 1194 N VAL A 154 9.448−9.947 5.235 1.00 19.33 7 N ATOM 1195 CA VAL A 154 10.106 −8.947 4.3981.00 18.92 6 C ATOM 1196 C VAL A 154 9.185 −7.753 4.170 1.00 18.31 6 CATOM 1197 O VAL A 154 7.986 −7.945 3.947 1.00 17.21 8 O ATOM 1198 CB VALA 154 10.529 −9.513 3.031 1.00 18.09 6 C ATOM 1199 CG1 VAL A 154 11.146−8.484 2.101 1.00 18.36 6 C ATOM 1200 GG2 VAL A 154 11.525 −10.646 3.2521.00 19.84 6 C ATOM 1201 N VAL A 155 9.757 −6.562 4.244 1.00 17.96 7 NATOM 1202 CA VAL A 155 9.034 −5.323 4.004 1.00 18.14 6 C ATOM 1203 C VALA 155 9.639 −4.712 2.739 1.00 19.37 6 C ATOM 1204 O VAL A 155 10.862−4.567 2.658 1.00 18.84 8 O ATOM 1205 CB VAL A 155 9.160 −4.310 5.1651.00 18.30 6 C ATOM 1206 CG1 VAL A 155 8.474 −2.991 4.810 1.00 17.05 6 CATOM 1207 CG2 VAL A 155 8.561 −4.867 6.448 1.00 18.30 6 C ATOM 1208 NARG A 156 8.809 −4.349 1.759 1.00 19.66 7 N ATOM 1209 CA ARG A 156 9.348−3.765 0.533 1.00 20.17 6 C ATOM 1210 C ARG A 156 9.583 −2.269 0.7051.00 18.82 6 C ATOM 1211 O ARG A 156 8.747 −1.622 1.353 1.00 18.51 8 OATOM 1212 CB ARG A 156 8.349 −4.055 −0.601 1.00 21.10 6 C ATOM 1213 CGARG A 156 7.900 −5.511 −0.675 1.00 20.86 6 C ATOM 1214 CD ARG A 1569.049 −6.490 −0.936 1.00 21.44 6 C ATOM 1215 NE ARG A 156 8.595 −7.859−0.699 1.00 21.21 7 N ATOM 1216 CZ ARG A 156 9.175 −9.005 −0.969 1.0021.71 6 C ATOM 1217 NH1 ARG A 156 10.369 −9.062 −1.552 1.00 21.53 7 NATOM 1218 NH2 ARG A 156 8.560 −10.141 −0.653 1.00 22.03 7 N ATOM 1219 NLEU A 157 10.666 −1.722 0.173 1.00 18.60 7 N ATOM 1220 CA LEU A 15710.915 −0.283 0.303 1.00 19.61 6 C ATOM 1221 C LEU A 157 11.612 0.248−0.935 1.00 21.59 6 C ATOM 1222 O LEU A 157 12.235 −0.500 −1.690 1.0022.60 8 O ATOM 1223 CB LEU A 157 11.703 0.053 −1.580 1.00 19.45 6 C ATOM1224 CG LEU A 157 13.130 −0.477 1.688 1.00 19.36 6 C ATOM 1225 CD1 LEU A157 14.137 0.419 0.986 1.00 21.00 6 C ATOM 1226 CD2 LEU A 157 13.502−0.642 3.169 1.00 19.57 6 C ATOM 1227 N GLU A 158 11.521 1.554 −1.2031.00 23.99 7 N ATOM 1228 CA GLU A 158 12.171 2.090 −2.394 1.00 25.75 6 CATOM 1229 C GLU A 158 12.818 3.449 −2.151 1.00 25.61 6 C ATOM 1230 O GLUA 158 13.796 3.770 −2.829 1.00 24.68 8 O ATOM 1231 CB GLU A 158 11.1832.225 −3.555 1.00 28.27 6 C ATOM 1232 CG GLU A 158 10.687 0.989 −4.2601.00 31.70 6 C ATOM 1233 CD GLU A 158 11.727 0.040 −4.795 1.00 34.04 6 CATOM 1234 OE1 GLU A 158 12.642 0.505 −5.513 1.00 36.03 8 O ATOM 1235 OE2GLU A 158 11.681 −1.184 −4.529 1.00 36.26 8 O ATOM 1236 N LYS A 15912.290 4.225 −1.217 1.00 24.87 7 N ATOM 1237 CA LYS A 159 12.784 5.563−0.940 1.00 24.95 6 C ATOM 1238 C LYS A 159 13.810 5.799 0.147 1.0025.09 6 C ATOM 1239 O LYS A 159 14.260 6.966 0.296 1.00 25.42 8 O ATOM1240 CB LYS A 159 11.548 6.453 −0.654 1.00 26.06 6 C ATOM 1241 CG LYS A159 10.715 6.745 −1.903 1.00 28.38 6 C ATOM 1242 CD LYS A 159 9.3897.398 −1.513 1.00 28.90 6 C ATOM 1243 CE LYS A 159 8.596 7.818 −2.7391.00 30.95 6 C ATOM 1244 NZ LYS A 159 7.288 8.442 −2.350 1.00 32.67 7 NATOM 1245 N VAL A 160 14.221 4.827 0.948 1.00 22.91 7 N ATOM 1246 CA VALA 160 15.217 5.064 1.987 1.00 22.21 6 C ATOM 1247 C VAL A 160 16.4014.105 1.906 1.00 22.17 6 C ATOM 1248 O VAL A 160 16.318 3.079 1.242 1.0021.48 8 O ATOM 1249 CB VAL A 160 14.625 4.956 3.403 1.00 23.01 6 C ATOM1250 CG1 VAL A 160 13.808 6.203 3.738 1.00 23.23 6 C ATOM 1251 CG2 VAL A160 13.767 3.697 3.517 1.00 23.14 6 C ATOM 1252 N LEU A 161 17.486 4.4582.607 1.00 20.56 7 N ATOM 1253 CA LEU A 161 18.672 3.614 2.601 1.0019.22 6 C ATOM 1254 C LEU A 161 18.402 2.279 3.280 1.00 17.13 6 C ATOM1255 O LEU A 161 18.745 1.240 2.755 1.00 16.00 8 O ATOM 1256 CB LEU A161 19.829 4.329 3.330 1.00 19.43 6 C ATOM 1257 CG LEU A 161 21.1533.557 3.341 1.00 19.69 6 C ATOM 1258 CD1 LEU A 161 21.689 3.334 1.9391.00 20.11 6 C ATOM 1259 CD2 LEU A 161 22.169 4.308 4.207 1.00 20.46 6 CATOM 1260 N HIS A 162 17.806 2.310 4.462 1.00 17.28 7 N ATOM 1261 CA HISA 162 17.487 1.115 5.217 1.00 16.55 6 C ATOM 1262 C HIS A 162 16.0871.293 5.811 1.00 15.34 6 C ATOM 1263 O HIS A 162 15.646 2.423 5.982 1.0016.70 8 O ATOM 1264 CB HIS A 162 18.381 0.868 6.433 1.00 16.97 6 C ATOM1265 CG HIS A 162 19.827 0.597 6.172 1.00 18.30 6 C ATOM 1266 ND1 HIS A162 20.807 1.541 6.390 1.00 18.05 7 N ATOM 1267 CD2 HIS A 162 20.442−0.502 5.706 1.00 17.90 6 C ATOM 1268 CE1 HIS A 162 21.982 1.018 6.0631.00 18.64 6 C ATOM 1269 NE2 HIS A 162 21.794 −0.215 5.650 1.00 18.25 7N ATOM 1270 N LEU A 163 15.450 0.194 6.160 1.00 13.08 7 N ATOM 1271 CALEU A 163 14.131 0.263 6.762 1.00 14.25 6 C ATOM 1272 C LEU A 163 14.0551.220 7.943 1.00 16.22 6 C ATOM 1273 O LEU A 163 13.177 2.075 8.026 1.0014.46 8 O ATOM 1274 CB LEU A 163 13.766 −1.146 7.240 1.00 15.67 6 C ATOM1275 CG LEU A 163 12.357 −1.344 7.807 1.00 16.19 6 C ATOM 1276 CD1 LEU A163 11.348 −1.447 6.671 1.00 16.96 6 C ATOM 1277 CD2 LEU A 163 12.327−2.607 8.653 1.00 15.98 6 C ATOM 1278 N LYS A 164 15.022 1.116 8.8821.00 16.05 7 N ATOM 1279 CA LYS A 164 15.027 1.937 10.081 1.00 17.07 6 CATOM 1280 C LYS A 164 15.381 3.394 9.914 1.00 17.42 6 C ATOM 1281 O LYSA 164 15.346 4.178 10.871 1.00 18.48 8 O ATOM 1282 CB LYS A 164 15.7961.275 11.235 1.00 16.84 6 C ATOM 1283 CG LYS A 164 15.027 0.051 11.7261.00 17.41 6 C ATOM 1284 CD LYS A 164 15.448 −0.385 13.117 1.00 17.20 6C ATOM 1285 CE LYS A 164 16.927 −0.767 13.181 1.00 19.09 6 C ATOM 1286NZ LYS A 164 17.151 −1.717 14.319 1.00 18.11 7 N ATOM 1287 N THR A 16515.625 3.837 8.696 1.00 17.74 7 N ATOM 1288 CA THR A 165 15.844 5.2328.353 1.00 17.32 6 C ATOM 1289 C THR A 165 14.511 5.950 8.601 1.00 17.496 C ATOM 1290 O THR A 165 14.487 7.128 8.983 1.00 14.86 8 O ATOM 1291 CBTHR A 165 16.194 5.399 6.873 1.00 18.49 6 C ATOM 1292 OG1 THR A 16517.520 4.891 6.613 1.00 19.17 8 O ATOM 1293 CG2 THR A 165 16.120 6.8406.393 1.00 19.64 6 C ATOM 1294 N GLY A 166 13.415 5.239 8.320 1.00 16.167 N ATOM 1295 CA GLY A 166 12.092 5.814 8.486 1.00 17.61 6 C ATOM 1296 CGLY A 166 11.169 5.097 9.428 1.00 18.31 6 C ATOM 1297 O GLY A 166 9.9365.267 9.387 1.00 19.06 8 O ATOM 1298 N LEU A 167 11.723 4.292 10.3511.00 17.78 7 N ATOM 1299 CA LEU A 167 10.872 3.568 11.284 1.00 17.81 6 CATOM 1300 C LEU A 167 11.630 3.274 12.590 1.00 17.52 6 C ATOM 1301 O LEUA 167 12.848 3.105 12.559 1.00 17.11 8 O ATOM 1302 CB LEU A 167 10.5132.199 10.718 1.00 19.35 6 C ATOM 1303 CG LEU A 167 9.354 2.001 9.7541.00 19.43 6 C ATOM 1304 CD1 LEU A 167 9.493 0.637 9.090 1.00 20.42 6 CATOM 1305 CD2 LEU A 167 8.043 2.133 10.521 1.00 19.61 6 C ATOM 1306 NALA A 168 10.879 3.186 13.658 1.00 17.23 7 N ATOM 1307 CA ALA A 16811.447 2.891 14.967 1.00 17.83 6 C ATOM 1308 C ALA A 168 10.382 2.35015.908 1.00 18.02 6 C ATOM 1309 O ALA A 168 9.362 2.997 16.129 1.0018.31 8 O ATOM 1310 CB ALA A 168 12.084 4.112 15.618 1.00 17.48 6 C ATOM1311 N TYR A 169 10.648 1.179 16.478 1.00 17.69 7 N ATOM 1312 CA TYR A169 9.700 0.592 17.428 1.00 17.99 6 C ATOM 1313 C TYR A 169 10.115 0.96218.841 1.00 18.41 6 C ATOM 1314 O TYR A 169 11.250 0.709 19.234 1.0017.21 8 O ATOM 1315 CB TYR A 169 9.607 −0.924 17.258 1.00 18.47 6 C ATOM1316 CG TYR A 169 8.578 −1.564 18.173 1.00 19.18 6 C ATOM 1317 CD1 TYR A169 7.248 −1.187 18.114 1.00 20.54 6 C ATOM 1318 CD2 TYR A 169 8.929−2.541 19.093 1.00 19.63 6 C ATOM 1319 CE1 TYR A 169 6.293 −1.755 18.9311.00 20.41 6 C ATOM 1320 CE2 TYR A 169 7.993 −3.121 19.924 1.00 20.25 6C ATOM 1321 CZ TYR A 169 6.675 −2.725 19.837 1.00 21.08 6 C ATOM 1322 OHTYR A 169 5.730 −3.300 20.661 1.00 20.59 8 O ATOM 1323 N LEU A 170 9.2081.593 19.598 1.00 18.68 7 N ATOM 1324 CA LEU A 170 9.503 2.021 20.9541.00 19.37 6 C ATOM 1325 C LEU A 170 8.857 1.184 22.048 1.00 20.39 6 CATOM 1326 O LEU A 170 8.613 1.651 23.169 1.00 21.84 8 O ATOM 1327 CB LEUA 170 9.075 3.491 21.111 1.00 19.37 6 C ATOM 1328 CG LEU A 170 9.5324.481 20.033 1.00 19.60 6 C ATOM 1329 CD1 LEU A 170 8.998 5.876 20.3311.00 19.10 6 C ATOM 1330 CD2 LEU A 170 11.051 4.496 19.910 1.00 18.71 6C ATOM 1331 N GLU A 171 8.588 −0.081 21.770 1.00 20.99 7 N ATOM 1332 CAGLU A 171 7.960 −1.007 22.703 1.00 21.35 6 C ATOM 1333 C GLU A 171 6.538−0.532 22.967 1.00 22.12 6 C ATOM 1334 O GLU A 171 6.145 0.578 22.6041.00 21.68 8 O ATOM 1335 CB GLU A 171 8.752 −1.140 24.004 1.00 21.46 6 CATOM 1336 CG GLU A 171 10.123 −1.773 23.848 1.00 20.52 6 C ATOM 1337 CDGLU A 171 10.138 −3.040 23.014 1.00 21.83 6 C ATOM 1338 OE1 GLU A 1719.359 −3.973 23.300 1.00 22.63 8 O ATOM 1339 OE2 GLU A 171 10.932 −3.11622.065 1.00 20.98 8 O ATOM 1340 N HIS A 172 5.713 −1.356 23.599 1.0023.36 7 N ATOM 1341 CA HIS A 172 4.337 −1.055 23.937 1.00 23.51 6 C ATOM1342 C HIS A 172 3.433 −0.728 22.755 1.00 23.94 6 C ATOM 1343 O HIS A172 2.443 −0.005 22.909 1.00 24.55 8 O ATOM 1344 CB HIS A 172 4.2500.077 24.980 1.00 23.95 6 C ATOM 1345 CG HIS A 172 5.203 −0.126 26.1241.00 25.24 6 C ATOM 1346 ND1 HIS A 172 5.097 −1.149 27.036 1.00 26.05 7N ATOM 1347 CD2 HIS A 172 6.303 0.590 26.470 1.00 25.34 6 C ATOM 1348CE1 HIS A 172 6.091 −1.056 27.907 1.00 25.92 6 C ATOM 1349 NE2 HIS A 1726.840 −0.007 27.584 1.00 25.89 7 N ATOM 1350 N ASN A 173 3.705 −1.22321.569 1.00 23.62 7 N ATOM 1351 CA ASN A 173 2.948 −1.029 20.353 1.0024.31 6 C ATOM 1352 C ASN A 173 3.089 0.358 19.747 1.00 24.56 6 C ATOM1353 O ASN A 173 2.354 0.693 18.815 1.00 24.91 8 O ATOM 1354 CB ASN A173 1.453 −1.353 20.586 1.00 23.82 6 C ATOM 1355 CG ASN A 173 0.776−1.845 19.323 1.00 24.19 6 C ATOM 1356 OD1 ASN A 173 1.351 −2.612 18.5511.00 23.12 8 O ATOM 1357 ND2 ASN A 173 −0.459 −1.428 19.064 1.00 23.58 7N ATOM 1358 N ASN A 174 4.028 1.174 20.222 1.00 23.00 7 N ATOM 1359 CAASN A 174 4.219 2.524 19.707 1.00 22.14 6 C ATOM 1360 C ASN A 174 5.2532.488 18.590 1.00 22.53 6 C ATOM 1361 O ASN A 174 6.390 2.115 18.8851.00 22.39 8 O ATOM 1362 CB ASN A 174 4.663 3.476 20.826 1.00 21.92 6 CATOM 1363 CG ASN A 174 3.589 3.587 21.891 1.00 21.52 6 C ATOM 1364 OD1ASN A 174 2.411 3.660 21.516 1.00 23.82 8 O ATOM 1365 ND2 ASN A 1743.908 3.602 23.173 1.00 20.48 7 N ATOM 1366 N LEU A 175 4.844 2.83217.378 1.00 20.45 7 N ATOM 1367 CA LEU A 175 5.739 2.805 16.234 1.0019.21 6 C ATOM 1368 C LEU A 175 5.958 4.158 15.572 1.00 19.72 6 C ATOM1369 O LEU A 175 4.981 4.777 15.139 1.00 20.59 8 O ATOM 1370 CB LEU A175 5.141 1.847 15.180 1.00 18.84 6 C ATOM 1371 CG LEU A 175 5.948 1.64613.890 1.00 18.45 6 C ATOM 1372 CD1 LEU A 175 7.272 0.938 14.188 1.0018.48 6 C ATOM 1373 CD2 LEU A 175 5.162 0.843 12.860 1.00 18.10 6 C ATOM1374 N LEU A 176 7.204 4.608 15.440 1.00 18.64 7 N ATOM 1375 CA LEU A176 7.458 5.866 14.727 1.00 19.35 6 C ATOM 1376 C LEU A 176 7.494 5.52413.229 1.00 19.38 6 C ATOM 1377 O LEU A 176 8.128 4.542 12.825 1.0018.01 8 O ATOM 1378 CB LEU A 176 8.801 6.515 15.084 1.00 19.79 6 C ATOM1379 CG LEU A 176 9.032 6.919 16.547 1.00 20.47 6 C ATOM 1380 CD1 LEU A176 10.393 7.591 16.697 1.00 20.30 6 C ATOM 1381 CD2 LEU A 176 7.9257.851 17.035 1.00 19.69 6 C ATOM 1382 N ALA A 177 6.812 6.297 12.3871.00 19.88 7 N ATOM 1383 CA ALA A 177 6.824 6.021 10.964 1.00 20.22 6 CATOM 1384 C ALA A 177 6.810 7.309 10.143 1.00 20.22 6 C ATOM 1385 O ALAA 177 6.121 8.277 10.447 1.00 19.81 8 O ATOM 1386 CB ALA A 177 5.6715.142 10.508 1.00 20.62 6 C ATOM 1387 N ALA A 178 7.632 7.266 9.100 1.0020.05 7 N ATOM 1388 CA ALA A 178 7.777 8.342 8.147 1.00 21.94 6 C ATOM1389 C ALA A 178 7.690 7.808 6.719 1.00 22.56 6 C ATOM 1390 O ALA A 1787.922 6.639 6.424 1.00 22.87 8 O ATOM 1391 CB ALA A 178 9.128 9.0478.269 1.00 21.64 6 C ATOM 1392 N GLY A 179 7.371 8.728 5.814 1.00 22.747 N ATOM 1393 CA GLY A 179 7.282 8.459 4.407 1.00 22.62 6 C ATOM 1394 CGLY A 179 6.397 7.296 4.011 1.00 22.42 6 C ATOM 1395 O GLY A 179 5.2437.177 4.406 1.00 20.38 8 O ATOM 1396 N GLU A 180 6.979 6.396 3.209 1.0022.46 7 N ATOM 1397 CA GLU A 180 6.254 5.243 2.701 1.00 23.16 6 C ATOM1398 C GLU A 180 5.864 4.178 3.706 1.00 23.00 6 C ATOM 1399 O GLU A 1805.105 3.282 3.318 1.00 22.71 8 O ATOM 1400 CB GLU A 180 7.107 4.6141.585 1.00 22.99 6 C ATOM 1401 CG GLU A 180 8.286 3.820 2.114 1.00 22.266 C ATOM 1402 CD GLU A 180 9.349 3.515 1.095 1.00 21.60 6 C ATOM 1403OE1 GLU A 180 9.182 2.631 0.229 1.00 21.67 8 O ATOM 1404 OE2 GLU A 18010.406 4.178 1.150 1.00 22.58 8 O ATOM 1405 N PHE A 181 6.328 4.2104.956 1.00 22.28 7 N ATOM 1406 CA PHE A 181 5.945 3.154 5.889 1.00 21.266 C ATOM 1407 C PHE A 181 4.637 3.455 6.606 1.00 22.40 6 C ATOM 1408 OPHE A 181 3.963 2.538 7.082 1.00 23.21 8 O ATOM 1409 CB PHE A 181 7.0802.899 6.895 1.00 20.41 6 C ATOM 1410 CG PHE A 181 8.367 2.567 6.188 1.0019.24 6 C ATOM 1411 CD1 PHE A 181 9.443 3.427 6.258 1.00 18.10 6 C ATOM1412 CD2 PHE A 181 8.492 1.395 5.451 1.00 18.47 6 C ATOM 1413 CE1 PHE A181 10.626 3.130 5.608 1.00 17.52 6 C ATOM 1414 CE2 PHE A 181 9.6741.093 4.801 1.00 17.24 6 C ATOM 1415 CZ PHE A 181 10.740 1.965 4.8791.00 17.01 6 C ATOM 1416 N VAL A 182 4.258 4.730 6.678 1.00 22.10 7 NATOM 1417 CA VAL A 182 3.050 5.147 7.367 1.00 23.74 6 C ATOM 1418 C VALA 182 1.781 4.401 7.009 1.00 25.08 6 C ATOM 1419 O VAL A 182 1.006 4.0387.904 1.00 26.18 8 O ATOM 1420 CB VAL A 182 2.821 6.668 7.166 1.00 23.396 C ATOM 1421 CG1 VAL A 182 1.560 7.159 7.872 1.00 22.43 6 C ATOM 1422CG2 VAL A 182 4.015 7.461 7.663 1.00 22.67 6 C ATOM 1423 N SER A 1831.499 4.177 5.735 1.00 26.65 7 N ATOM 1424 CA SER A 183 0.278 3.4985.325 1.00 28.00 6 C ATOM 1425 C SER A 183 0.435 2.023 5.002 1.00 27.486 C ATOM 1426 O SER A 183 −0.455 1.450 4.362 1.00 27.48 8 O ATOM 1427 CBSER A 183 −0.281 4.207 4.078 1.00 29.10 6 C ATOM 1428 OG SER A 183−0.910 5.434 4.424 1.00 31.54 8 O ATOM 1429 N LYS A 184 1.523 1.3855.405 1.00 26.59 7 N ATOM 1430 CA LYS A 184 1.705 −0.032 5.112 1.0026.12 6 C ATOM 1431 C LYS A 184 0.703 −0.888 5.866 1.00 25.33 6 C ATOM1432 O LYS A 184 0.558 −0.709 7.065 1.00 25.76 8 O ATOM 1433 CB LYS A184 3.081 −0.519 5.599 1.00 25.91 6 C ATOM 1434 CG LYS A 184 4.217 0.0754.789 1.00 26.00 6 C ATOM 1435 CD LYS A 184 4.432 −0.765 3.540 1.0025.50 6 C ATOM 1436 CE LYS A 184 5.764 −0.421 2.889 1.00 25.43 6 C ATOM1437 NZ LYS A 184 5.959 −1.196 1.631 1.00 25.69 7 N ATOM 1438 N PRO A185 0.073 −1.825 5.178 1.00 24.81 7 N ATOM 1439 CA PRO A 185 −0.888−2.725 5.790 1.00 24.53 6 C ATOM 1440 C PRO A 185 −0.304 −3.505 6.9531.00 24.13 6 C ATOM 1441 O PRO A 185 −1.005 −3.704 7.949 1.00 23.04 8 OATOM 1442 CB PRO A 185 −1.316 −3.663 4.670 1.00 24.58 6 C ATOM 1443 CGPRO A 185 −1.003 −2.921 3.414 1.00 25.72 6 C ATOM 1444 CD PRO A 1850.221 −2.093 3.728 1.00 24.93 6 C ATOM 1445 N GLU A 186 0.955 −3.9406.847 1.00 24.97 7 N ATOM 1446 CA GLU A 186 1.592 −4.707 7.909 1.0024.48 6 C ATOM 1447 C GLU A 186 1.730 −3.937 9.224 1.00 23.93 6 C ATOM1448 O GLU A 186 1.914 −4.585 10.261 1.00 22.58 8 O ATOM 1449 CB GLU A186 3.010 −5.126 7.594 1.00 26.12 6 C ATOM 1450 CG GLU A 186 3.757−5.491 6.394 1.00 27.68 6 C ATOM 1451 CD GLU A 186 3.980 −4.455 5.3221.00 27.82 6 C ATOM 1452 OE1 GLU A 186 5.109 −4.276 4.816 1.00 27.28 8 OATOM 1453 OE2 GLU A 186 3.000 −3.777 4.933 1.00 26.89 8 O ATOM 1454 NPHE A 187 1.724 −2.607 9.188 1.00 23.09 7 N ATOM 1455 CA PHE A 187 1.909−1.841 10.418 1.00 23.45 6 C ATOM 1456 C PHE A 187 0.641 −1.187 10.9571.00 24.14 6 C ATOM 1457 O PHE A 187 0.709 −0.451 11.958 1.00 22.73 8 OATOM 1458 CB PHE A 187 2.987 −0.778 10.182 1.00 22.97 6 C ATOM 1459 CGPHE A 187 4.337 −1.205 9.700 1.00 23.06 6 C ATOM 1460 CD1 PHE A 1875.018 −0.446 8.750 1.00 23.35 6 C ATOM 1461 CD2 PHE A 187 4.950 −2.34910.177 1.00 22.68 6 C ATOM 1462 CE1 PHE A 187 6.273 −0.831 8.296 1.0023.87 6 C ATOM 1463 CE2 PHE A 187 6.191 −2.736 9.732 1.00 22.40 6 C ATOM1464 CZ PHE A 187 6.854 −1.983 8.795 1.00 23.34 6 C ATOM 1465 N GLN A188 −0.526 −1.443 10.366 1.00 25.69 7 N ATOM 1466 CA GLN A 188 −1.751−0.798 10.830 1.00 26.36 6 C ATOM 1467 C GLN A 188 −2.288 −1.204 12.1811.00 26.42 6 C ATOM 1468 O GLN A 188 −3.126 −0.455 12.710 1.00 24.16 8 OATOM 1469 CB GLN A 188 −2.835 −0.853 9.738 1.00 27.93 6 C ATOM 1470 CGGLN A 188 −2.463 −0.104 8.472 1.00 29.03 6 C ATOM 1471 CD GLN A 188−1.937 1.301 8.633 1.00 29.40 6 C ATOM 1472 OE1 GLN A 188 −2.616 2.2189.098 1.00 29.04 8 O ATOM 1473 NE2 GLN A 188 −0.670 1.488 8.239 1.0028.70 7 N ATOM 1474 N ASP A 189 −1.847 −2.307 12.804 1.00 26.68 7 N ATOM1475 CA ASP A 189 −2.401 −2.601 14.136 1.00 28.48 6 C ATOM 1476 C ASP A189 −1.507 −1.954 15.190 1.00 27.75 6 C ATOM 1477 O ASP A 189 −1.753−2.029 16.387 1.00 26.53 8 O ATOM 1478 CB ASP A 189 −2.738 −4.059 14.3531.00 31.61 6 C ATOM 1479 CG ASP A 189 −4.020 −4.483 13.650 1.00 34.21 6C ATOM 1480 OD1 ASP A 189 −4.831 −3.639 13.210 1.00 35.47 8 O ATOM 1481OD2 ASP A 189 −4.219 −5.713 13.533 1.00 37.56 8 O ATOM 1482 N PHE A 190−0.447 −1.264 14.752 1.00 27.40 7 N ATOM 1483 CA PHE A 190 −0.440 −0.56815.676 1.00 26.77 6 C ATOM 1484 C PHE A 190 −0.143 0.826 15.946 1.0026.91 6 C ATOM 1485 O PHE A 190 −0.980 1.281 15.168 1.00 27.50 8 O ATOM1486 CB PHE A 190 1.821 −0.316 15.075 1.00 27.37 6 C ATOM 1487 CG PHE A190 2.728 −1.503 14.933 1.00 27.45 6 C ATOM 1488 CD1 PHE A 190 2.693−2.272 13.790 1.00 27.73 6 C ATOM 1489 CD2 PHE A 190 3.618 −1.850 15.9341.00 27.99 6 C ATOM 1490 CE1 PHE A 190 3.513 −3.369 13.625 1.00 27.82 6C ATOM 1491 CE2 PHE A 190 4.448 −2.947 15.788 1.00 28.00 6 C ATOM 1492CZ PHE A 190 4.398 −3.705 14.634 1.00 28.16 6 C ATOM 1493 N ASN A 1910.322 1.508 16.981 1.00 26.62 7 N ATOM 1494 CA ASN A 191 −0.125 2.88817.211 1.00 26.91 6 C ATOM 1495 C ASN A 191 0.894 3.686 16.379 1.0027.03 6 C ATOM 1496 O ASN A 191 2.008 3.853 16.884 1.00 26.68 8 O ATOM1497 CB ASN A 191 −0.058 3.303 18.661 1.00 28.48 6 C ATOM 1498 CG ASN A191 −0.227 4.797 18.891 1.00 29.25 6 C ATOM 1499 OD1 ASN A 191 −0.9515.486 18.170 1.00 30.13 8 O ATOM 1500 ND2 ASN A 191 0.475 5.269 19.9211.00 28.77 7 N ATOM 1501 N ILE A 192 0.536 4.063 15.158 1.00 26.25 7 NATOM 1502 CA ILE A 192 1.505 4.762 14.328 1.00 25.77 6 C ATOM 1503 C ILEA 192 1.613 6.232 14.688 1.00 25.97 6 C ATOM 1504 O ILE A 192 0.6326.958 14.800 1.00 24.17 8 O ATOM 1505 CB ILE A 192 1.232 4.612 12.8231.00 26.16 6 C ATOM 1506 CG1 ILE A 192 1.110 3.132 12.449 1.00 26.35 6 CATOM 1507 CG2 ILE A 192 2.356 5.268 12.033 1.00 26.27 6 C ATOM 1508 CD1ILE A 192 0.466 2.909 11.090 1.00 26.82 6 C ATOM 1509 N ILE A 193 2.8726.616 14.891 1.00 25.38 7 N ATOM 1510 CA ILE A 193 3.237 7.994 15.2131.00 26.05 6 C ATOM 1511 C ILE A 193 3.916 8.526 13.953 1.00 25.47 6 CATOM 1512 O ILE A 193 5.080 8.278 13.645 1.00 24.43 8 O ATOM 1513 CB ILEA 193 4.132 8.070 16.454 1.00 26.39 6 C ATOM 1514 CG1 ILE A 193 3.4207.423 17.651 1.00 27.17 6 C ATOM 1515 CG2 ILE A 193 4.508 9.509 16.7511.00 26.91 6 C ATOM 1516 CD1 ILE A 193 4.388 6.855 18.664 1.00 27.04 6 CATOM 1517 N GLU A 194 3.106 9.248 13.165 1.00 25.39 7 N ATOM 1518 CA GLUA 194 3.568 9.817 11.910 1.00 24.62 6 C ATOM 1519 C GLU A 194 4.49710.998 12.162 1.00 24.98 6 C ATOM 1520 O GLU A 194 4.125 11.957 12.8311.00 25.67 8 O ATOM 1521 CB GLU A 194 2.384 10.238 11.038 1.00 24.73 6 CATOM 1522 CG GLU A 194 1.519 9.058 10.538 0.00 20.00 6 C ATOM 1523 CDGLU A 194 0.344 9.504 9.691 0.00 20.00 6 C ATOM 1524 OE1 GLU A 194 0.07010.721 9.646 0.00 20.00 8 O ATOM 1525 OE2 GLU A 194 −0.303 8.634 9.0700.00 20.00 8 O ATOM 1526 N ILE A 195 5.707 10.918 11.628 1.00 24.28 7 NATOM 1527 CA ILE A 195 6.691 11.991 11.796 1.00 24.01 6 C ATOM 1528 CILE A 195 6.452 13.048 10.727 1.00 25.07 6 C ATOM 1529 O ILE A 195 6.33612.690 9.558 1.00 23.72 8 O ATOM 1530 CB ILE A 195 8.100 11.379 11.6561.00 23.50 6 C ATOM 1531 CG1 ILE A 195 8.331 10.272 12.685 1.00 22.60 6C ATOM 1532 CG2 ILE A 195 9.179 12.447 11.771 1.00 23.57 6 C ATOM 1533CD1 ILE A 195 8.133 10.627 14.134 1.00 22.07 6 C ATOM 1534 N PRO A 1966.361 14.316 11.090 1.00 25.77 7 N ATOM 1535 CA PRO A 196 6.147 15.40210.137 1.00 26.34 6 C ATOM 1536 C PRO A 196 7.272 15.479 9.118 1.0026.73 6 C ATOM 1537 O PRO A 196 8.407 15.175 9.487 1.00 26.66 8 O ATOM1538 CB PRO A 196 6.092 16.653 10.996 1.00 26.61 6 C ATOM 1539 CG PRO A196 5.912 16.203 12.403 1.00 26.62 6 C ATOM 1540 CD PRO A 196 6.48814.805 12.475 1.00 26.63 6 C ATOM 1541 N GLU A 197 7.008 15.896 7.8781.00 27.22 7 N ATOM 1542 CA GLU A 197 8.042 15.940 6.853 1.00 28.33 6 CATOM 1543 C GLU A 197 9.299 16.705 7.179 1.00 27.30 6 C ATOM 1544 O GLUA 197 10.386 16.191 6.889 1.00 26.37 8 O ATOM 1545 CB GLU A 197 7.46916.400 5.515 1.00 30.07 6 C ATOM 1546 CG GLU A 197 6.964 17.827 5.4431.00 32.37 6 C ATOM 1547 CD GLU A 197 6.620 18.137 3.983 1.00 33.19 6 CATOM 1548 OE1 GLU A 197 7.575 18.431 3.225 1.00 33.05 8 O ATOM 1549 OE2GLU A 197 5.428 18.071 3.652 1.00 33.61 8 O ATOM 1550 N GLU A 198 9.23217.881 7.776 1.00 27.01 7 N ATOM 1551 CA GLU A 198 10.431 18.642 8.1181.00 27.58 6 C ATOM 1552 C GLU A 198 11.324 17.920 9.119 1.00 26.44 6 CATOM 1553 O GLU A 198 12.533 18.162 9.196 1.00 27.72 8 O ATOM 1554 CBGLU A 198 9.930 19.958 8.757 1.00 29.42 6 C ATOM 1555 CG GLU A 198 9.16519.601 10.033 1.00 31.31 6 C ATOM 1556 CD GLU A 198 7.755 20.138 10.0371.00 31.76 6 C ATOM 1557 OE1 GLU A 198 7.084 20.077 8.984 1.00 33.08 8 OATOM 1558 OE2 GLU A 198 7.409 20.600 11.145 1.00 32.34 8 O ATOM 1559 NGLU A 199 10.734 17.032 9.911 1.00 23.98 7 N ATOM 1560 CA GLU A 19911.406 16.270 10.938 1.00 22.84 6 C ATOM 1561 C GLU A 199 11.629 14.80710.590 1.00 21.79 6 C ATOM 1562 O GLU A 199 11.897 14.011 11.502 1.0021.82 8 O ATOM 1563 CB GLU A 199 10.553 16.324 12.223 1.00 21.92 6 CATOM 1564 CG GLU A 199 10.375 17.757 12.720 1.00 22.63 6 C ATOM 1565 CDGLU A 199 10.059 17.854 14.186 1.00 23.27 6 C ATOM 1566 OE1 GLU A 1999.866 16.822 14.862 1.00 23.08 8 O ATOM 1567 OE2 GLU A 199 9.992 18.98014.723 1.00 24.02 8 O ATOM 1568 N SER A 200 11.536 14.430 9.325 1.0021.70 7 N ATOM 1569 CA SER A 200 11.718 13.055 8.879 1.00 21.83 6 C ATOM1570 C SER A 200 12.903 12.324 9.487 1.00 20.73 6 C ATOM 1571 O SER A200 12.785 11.132 9.792 1.00 18.50 8 O ATOM 1572 CB SER A 200 11.86912.995 7.347 1.00 22.88 6 C ATOM 1573 OG SER A 200 13.051 13.701 6.9681.00 27.44 8 O ATOM 1574 N TYR A 201 14.055 12.977 9.646 1.00 20.73 7 NATOM 1575 CA TYR A 201 15.239 12.357 10.234 1.00 21.72 6 C ATOM 1576 CTYR A 201 14.917 11.753 11.589 1.00 20.66 6 C ATOM 1577 O TYR A 20115.415 10.675 11.914 1.00 20.15 8 O ATOM 1578 CB TYR A 201 16.369 13.37110.430 1.00 22.13 6 C ATOM 1579 CG TYR A 201 17.693 12.886 10.969 1.0022.75 6 C ATOM 1580 CD1 TYR A 201 18.475 11.965 10.270 1.00 23.12 6 CATOM 1581 CD2 TYR A 201 18.181 13.354 12.185 1.00 22.51 6 C ATOM 1582CE1 TYR A 201 19.691 11.532 10.773 1.00 23.47 6 C ATOM 1583 CE2 TYR A201 19.392 12.924 12.688 1.00 22.81 6 C ATOM 1584 CZ TYR A 201 20.14912.017 11.985 1.00 23.29 6 C ATOM 1585 OH TYR A 201 21.363 11.580 12.4711.00 21.41 8 O ATOM 1586 N ALA A 202 14.071 12.404 12.385 1.00 19.51 7 NATOM 1587 CA ALA A 202 13.695 11.933 13.704 1.00 18.95 6 C ATOM 1588 CALA A 202 12.847 10.687 13.764 1.00 18.73 6 C ATOM 1589 O ALA A 20212.430 10.278 14.855 1.00 19.37 8 O ATOM 1590 CB ALA A 202 13.070 13.05814.527 1.00 20.14 6 C ATOM 1591 N ALA A 203 12.594 9.990 12.654 1.0019.16 7 N ATOM 1592 CA ALA A 203 11.864 8.734 12.665 1.00 19.15 6 C ATOM1593 C ALA A 203 12.836 7.661 13.185 1.00 19.93 6 C ATOM 1594 O ALA A203 12.425 6.570 13.592 1.00 19.88 8 O ATOM 1595 CB ALA A 203 11.3658.307 11.303 1.00 19.46 6 C ATOM 1596 N ASN A 204 14.138 7.991 13.1271.00 18.23 7 N ATOM 1597 CA ASN A 204 15.141 7.047 13.640 1.00 18.46 6 CATOM 1598 C ASN A 204 15.439 7.447 15.090 1.00 18.04 6 C ATOM 1599 O ASNA 204 16.051 8.486 15.346 1.00 16.74 8 O ATOM 1600 CB ASN A 204 16.3787.089 12.759 1.00 18.18 6 C ATOM 1601 CG ASN A 204 17.429 6.060 13.0891.00 20.67 6 C ATOM 1602 OD1 ASN A 204 17.833 5.245 12.250 1.00 22.55 8O ATOM 1603 ND2 ASN A 204 17.914 6.052 14.311 1.00 20.41 7 N ATOM 1604 NCYH A 205 14.952 6.662 16.044 1.00 18.20 7 N ATOM 1605 CA CYH A 20515.111 6.860 17.465 1.00 17.46 6 C ATOM 1606 C CYH A 205 15.321 5.49118.116 1.00 17.44 6 C ATOM 1607 O CYH A 205 15.029 4.489 17.469 1.0018.02 8 O ATOM 1608 CB CYH A 205 13.899 7.489 18.162 1.00 17.85 6 C ATOM1609 SG CYH A 205 13.520 9.185 17.634 1.00 17.21 16 S ATOM 1610 N ILE A206 15.846 5.459 19.345 1.00 17.51 7 N ATOM 1611 CA ILE A 206 16.0074.170 20.011 1.00 16.74 6 C ATOM 1612 C ILE A 206 15.418 4.115 21.4161.00 17.76 6 C ATOM 1613 O ILE A 206 15.635 4.957 22.283 1.00 18.75 8 OATOM 1614 CB ILE A 206 17.473 3.701 20.152 1.00 16.12 6 C ATOM 1615 CG1ILE A 206 18.349 4.796 20.762 1.00 14.91 6 C ATOM 1616 CG2 ILE A 20617.997 3.224 18.809 1.00 14.96 6 C ATOM 1617 CD1 ILE A 206 19.807 4.37120.956 1.00 15.94 6 C ATOM 1618 N TRP A 207 14.634 3.065 21.650 1.0018.53 7 N ATOM 1619 CA TRP A 207 14.056 2.794 22.953 1.00 18.99 6 C ATOM1620 C TRP A 207 15.157 1.993 23.669 1.00 18.45 6 C ATOM 1621 O TRP A207 15.746 1.093 23.068 1.00 17.12 8 O ATOM 1622 CB TRP A 207 12.8061.927 22.883 1.00 18.96 6 C ATOM 1623 CG TRP A 207 12.266 1.462 24.2001.00 19.37 6 C ATOM 1624 CD1 TRP A 207 11.309 2.103 24.944 1.00 19.32 6C ATOM 1625 CD2 TRP A 207 12.633 0.294 24.927 1.00 19.14 6 C ATOM 1626NE1 TRP A 207 11.057 1.390 26.098 1.00 20.24 7 N ATOM 1627 CE2 TRP A 20711.863 0.272 26.104 1.00 20.17 6 C ATOM 1628 CE3 TRP A 207 13.542 −0.75024.700 1.00 19.82 6 C ATOM 1629 CZ2 TRP A 207 11.968 −0.745 27.053 1.0020.63 6 C ATOM 1630 CZ3 TRP A 207 13.649 −1.760 25.642 1.00 19.84 6 CATOM 1631 CH2 TRP A 207 12.864 −1.755 26.810 1.00 20.72 6 C ATOM 1632 NVAL A 208 15.480 2.363 24.896 1.00 19.46 7 N ATOM 1633 CA VAL A 20816.457 1.665 25.714 1.00 18.65 6 C ATOM 1634 C VAL A 208 15.919 1.66927.152 1.00 18.51 6 C ATOM 1635 O VAL A 208 16.056 2.672 27.866 1.0018.53 8 O ATOM 1636 CB VAL A 208 17.894 2.221 25.735 1.00 18.71 6 C ATOM1637 CG1 VAL A 208 18.841 1.287 26.497 1.00 17.63 6 C ATOM 1638 CG2 VALA 208 18.495 2.479 24.360 1.00 19.19 6 C ATOM 1639 N ASN A 209 15.2880.598 27.620 1.00 18.42 7 N ATOM 1640 CA ASN A 209 14.818 0.540 28.9991.00 19.92 6 C ATOM 1641 C ASN A 209 13.987 1.693 29.517 1.00 20.22 6 CATOM 1642 O ASN A 209 14.147 2.271 30.606 1.00 19.91 8 O ATOM 1643 CBASN A 209 16.088 0.372 29.874 1.00 20.08 6 C ATOM 1644 CG ASN A 20916.769 −0.963 29.641 1.00 20.53 6 C ATOM 1645 OD1 ASN A 209 16.236−1.848 28.967 1.00 21.40 8 O ATOM 1646 ND2 ASN A 209 17.972 −1.15130.195 1.00 19.40 7 N ATOM 1647 N GLU A 210 12.999 2.078 28.731 1.0021.23 7 N ATOM 1648 CA GLU A 210 12.019 3.119 28.985 1.00 21.73 6 C.ATOM 1649 C GLU A 210 12.514 4.529 28.735 1.00 21.32 6 C ATOM 1650 O GLUA 210 11.766 5.499 28.905 1.00 21.06 8 O ATOM 1651 CB GLU A 210 11.2952.948 30.310 1.00 23.97 6 C ATOM 1652 CG GLU A 210 10.520 1.663 30.4871.00 26.15 6 C ATOM 1653 CD GLU A 210 9.616 1.142 29.398 1.00 28.00 6 CATOM 1654 OE1 GLU A 210 9.199 1.860 28.471 1.00 26.92 8 O ATOM 1655 OE2GLU A 210 9.302 −0.080 29.477 1.00 29.47 8 O ATOM 1656 N ARG A 21113.760 4.676 28.307 1.00 20.42 7 N ATOM 1657 CA ARG A 211 14.353 5.93227.916 1.00 20.26 6 C ATOM 1658 C ARG A 211 14.236 5.907 26.369 1.0019.19 6 C ATOM 1659 O ARG A 211 14.214 4.803 25.792 1.00 19.00 8 O ATOM1660 CB ARG A 211 15.844 6.084 28.198 1.00 21.37 6 C ATOM 1661 CG ARG A211 16.382 5.228 29.329 1.00 25.62 6 C ATOM 1662 CD ARG A 211 16.3175.857 30.661 1.00 24.95 6 C ATOM 1663 NE ARG A 211 16.816 5.286 31.8501.00 24.48 7 N ATOM 1664 CZ ARG A 211 16.847 4.305 32.700 1.00 24.23 6 CATOM 1665 NH1 ARG A 211 17.629 4.406 33.786 1.00 23.57 7 N ATOM 1666 NH2ARG A 211 16.142 3.180 32.551 1.00 23.60 7 N ATOM 1667 N VAL A 21214.140 7.052 25.733 1.00 18.18 7 N ATOM 1668 CA VAL A 212 14.096 7.05724.262 1.00 17.19 6 C ATOM 1669 C VAL A 212 15.160 .8.084 23.862 1.0018.50 6 C ATOM 1670 O VAL A 212 15.053 9.264 24.223 1.00 20.05 8 O ATOM1671 CB VAL A 212 12.763 7.306 23.578 1.00 18.07 6 C ATOM 1672 CG1 VAL A212 12.995 7.592 22.083 1.00 16.31 6 C ATOM 1673 CG2 VAL A 212 11.8246.104 23.634 1.00 16.24 6 C ATOM 1674 N ILE A 213 16.187 7.634 23.1621.00 17.23 7 N ATOM 1675 CA ILE A 213 17.269 8.524 22.726 1.00 17.43 6 CATOM 1676 C ILE A 213 16.946 9.001 21.316 1.00 16.63 6 C ATOM 1677 O ILEA 213 16.682 8.155 20.452 1.00 16.00 8 O ATOM 1678 CB ILE A 213 18.6397.842 22.823 1.00 18.86 6 C ATOM 1679 CG1 ILE A 213 18.978 7.581 24.3061.00 20.36 6 C ATOM 1680 CG2 ILE A 213 19.723 8.695 22.184 1.00 19.06 6C ATOM 1681 CD1 ILE A 213 20.196 6.711 24.545 1.00 20.60 6 C ATOM 1682 NMET A 214 16.943 10.303 21.071 1.00 16.36 7 N ATOM 1683 CA MET A 21416.594 10.806 19.740 1.00 16.59 6 C ATOM 1684 C MET A 214 17.494 11.96819.361 1.00 18.17 6 C ATOM 1685 O MET A 214 18.125 12.563 20.254 1.0018.22 8 O ATOM 1686 CB MET A 214 15.114 11.287 19.767 1.00 17.07 6 CATOM 1687 CG MET A 214 14.976 12.564 20.594 1.00 16.98 6 C ATOM 1688 SDMET A 214 13.318 13.301 20.624 1.00 16.73 16 S ATOM 1689 CE MET A 21413.119 13.649 18.884 1.00 15.25 6 C ATOM 1690 N PRO A 215 17.560 12.28318.080 1.00 18.01 7 N ATOM 1691 CA PRO A 215 18.353 13.409 17.601 1.0018.79 6 C ATOM 1692 C PRO A 215 17.789 14.714 18.155 1.00 19.48 6 C ATOM1693 O PRO A 215 16.565 14.888 18.294 1.00 19.18 8 O ATOM 1694 CB PRO A215 18.202 13.366 16.091 1.00 18.85 6 C ATOM 1695 CG PRO A 215 16.95012.595 15.835 1.00 19.64 6 C ATOM 1696 CD PRO A 215 16.843 11.607 16.9731.00 18.95 6 C ATOM 1697 N ALA A 216 18.690 15.642 18.482 1.00 19.80 7 NATOM 1698 CA ALA A 216 18.273 16.939 19.013 1.00 20.58 6 C ATOM 1699 CALA A 216 17.847 17.841 17.845 1.00 20.94 6 C ATOM 1700 O ALA A 21618.416 17.694 16.769 1.00 20.67 8 O ATOM 1701 CB ALA A 216 19.416 17.60119.761 1.00 20.83 6 C ATOM 1702 N GLY A 217 16.880 18.724 18.074 1.0021.90 7 N ATOM 1703 CA GLY A 217 16.418 19.627 17.031 1.00 20.96 6 CATOM 1704 C GLY A 217 15.142 19.245 16.328 1.00 22.06 6 C ATOM 1705 OGLY A 217 14.815 19.759 15.242 1.00 22.32 8 O ATOM 1706 N TYR A 21814.355 18.317 16.863 1.00 20.52 7 N ATOM 1707 CA TYR A 218 13.095 17.82316.277 1.00 20.87 6 C ATOM 1708 C TYR A 218 12.042 17.893 17.368 1.0020.81 6 C ATOM 1709 O TYR A 218 11.639 16.915 17.994 1.00 20.94 8 O ATOM1710 CB TYR A 218 13.338 16.412 15.689 1.00 20.31 6 C ATOM 1711 CG TYR A218 14.457 16.446 14.649 1.00 20.88 6 C ATOM 1712 CD1 TYR A 218 15.75416.045 14.963 1.00 21.21 6 C ATOM 1713 CD2 TYR A 218 14.215 16.90813.359 1.00 20.98 6 C ATOM 1714 CE1 TYR A 218 16.756 16.098 14.010 1.0020.95 6 C ATOM 1715 CE2 TYR A 218 15.214 16.960 12.412 1.00 21.20 6 CATOM 1716 CZ TYR A 218 16.491 16.550 12.736 1.00 20.49 6 C ATOM 1717 OHTYR A 218 17.477 16.607 11.786 1.00 19.44 8 O ATOM 1718 N PRO A 21911.565 19.114 17.669 1.00 21.54 7 N ATOM 1719 CA PRO A 219 10.608 19.34218.729 1.00 21.50 6 C ATOM 1720 C PRO A 219 9.243 18.706 18.643 1.0022.06 6 C ATOM 1721 O PRO A 219 8.710 18.332 19.704 1.00 21.09 8 O ATOM1722 CB PRO A 219 10.481 20.860 18.837 1.00 20.28 6 C ATOM 1723 CG PRO A219 11.169 21.451 17.672 1.00 21.21 6 C ATOM 1724 CD PRO A 219 11.96320.374 17.003 1.00 21.32 6 C ATOM 1725 N ARG A 220 8.664 18.575 17.4541.00 22.05 7 N ATOM 1726 CA ARG A 220 7.330 17.980 17.368 1.00 23.17 6 CATOM 1727 C ARG A 220 7.364 16.496 17.725 1.00 22.85 6 C ATOM 1728 O ARGA 220 6.513 15.958 18.420 1.00 21.85 8 O ATOM 1729 CB ARG A 220 6.70718.197 15.991 1.00 23.83 6 C ATOM 1730 CG ARG A 220 6.322 19.653 15.7251.00 25.67 6 C ATOM 1731 CD ARG A 220 5.798 19.825 14.295 1.00 26.64 6 CATOM 1732 NE ARG A 220 4.519 19.125 14.167 1.00 28.69 7 N ATOM 1733 CZARG A 220 3.815 18.968 13.052 1.00 29.17 6 C ATOM 1734 NH1 ARG A 2204.233 19.461 11.892 1.00 28.92 7 N ATOM 1735 NH2 ARG A 220 2.667 18.30113.101 1.00 29.71 7 N ATOM 1736 N THR A 221 8.394 15.835 17.202 1.0021.77 7 N ATOM 1737 CA THR A 221 8.598 14.412 17.439 1.00 21.40 6 C ATOM1738 C THR A 221 8.927 14.161 18.901 1.00 21.15 6 C ATOM 1739 O THR A221 8.436 13.227 19.535 1.00 19.07 8 O ATOM 1740 CB THR A 221 9.71813.870 16.530 1.00 21.00 6 C ATOM 1741 OG1 THR A 221 9.312 13.975 15.1581.00 21.10 8 O ATOM 1742 CG2 THR A 221 9.999 12.416 16.874 1.00 20.88 6C ATOM 1743 N ARG A 222 9.749 15.036 19.487 1.00 22.16 7 N ATOM 1744 CAARG A 222 10.101 14.919 20.901 1.00 24.31 6 C ATOM 1745 C ARG A 2228.853 14.968 21.768 1.00 24.22 6 C ATOM 1746 O ARG A 222 8.722 14.23222.750 1.00 22.96 8 O ATOM 1747 CB ARG A 222 11.091 16.029 21.259 1.0025.49 6 C ATOM 1748 CG ARG A 222 11.526 16.046 22.719 1.00 28.91 6 CATOM 1749 CD ARG A 222 10.666 17.066 23.451 1.00 31.88 6 C ATOM 1750 NEARG A 222 10.430 16.764 24.840 1.00 34.87 7 N ATOM 1751 CZ ARG A 22211.322 16.630 25.807 1.00 36.10 6 C ATOM 1752 NH1 ARG A 222 12.61716.770 25.557 1.00 37.50 7 N ATOM 1753 NH2 ARG A 222 10.933 16.35027.046 1.00 37.08 7 N ATOM 1754 N GLU A 223 7.892 15.833 21.427 1.0025.65 7 N ATOM 1755 CA GLU A 223 6.660 15.911 22.223 1.00 26.66 6 C ATOM1756 C GLU A 223 5.750 14.718 21.982 1.00 26.96 6 C ATOM 1757 O GLU A223 5.073 14.251 22.915 1.00 26.89 8 O ATOM 1758 CB GLU A 223 5.95417.247 21.971 1.00 29.05 6 C ATOM 1759 CG GLU A 223 4.721 17.453 22.8341.00 32.22 6 C ATOM 1760 CD GLU A 223 4.989 7.529 24.321 1.00 34.06 6 CATOM 1761 OE1 GLU A 223 6.157 17.640 24.751 1.00 35.48 8 O ATOM 1762 OE2GLU A 223 4.002 17.478 25.094 1.00 36.26 8 O ATOM 1763 N LYS A 224 5.72414.187 20.764 1.00 26.21 7 N ATOM 1764 CA LYS A 224 4.900 13.015 20.4591.00 26.55 6 C ATOM 1765 C LYS A 224 5.393 11.824 21.274 1.00 26.18 6 CATOM 1766 O LYS A 224 4.595 11.041 21.791 1.00 26.77 8 O ATOM 1767 CBLYS A 224 4.855 12.753 18.957 1.00 28.51 6 C ATOM 1768 CG LYS A 2244.221 13.855 18.126 1.00 30.72 6 C ATOM 1769 CD LYS A 224 4.110 13.49516.653 1.00 32.20 6 C ATOM 1770 CE LYS A 224 3.616 14.673 15.822 1.0033.79 6 C ATOM 1771 NZ LYS A 224 2.575 14.227 14.858 1.00 35.71 7 N ATOM1772 N ILE A 225 6.708 11.670 21.440 1.00 24.40 7 N ATOM 1773 CA ILE A225 7.285 10.589 22.233 1.00 23.71 6 C ATOM 1774 C ILE A 225 7.11810.817 23.728 1.00 24.26 6 C ATOM 1775 O ILE A 225 6.660 9.960 24.4871.00 23.93 8 O ATOM 1776 CB ILE A 225 8.795 10.472 21.896 1.00 23.02 6 CATOM 1777 CG1 ILE A 225 8.920 10.275 20.380 1.00 22.03 6 C ATOM 1778 CG2ILE A 225 9.442 9.341 22.672 1.00 21.86 6 C ATOM 1779 CD1 ILE A 22510.324 10.373 19.822 1.00 22.62 6 C ATOM 1780 N ALA A 226 7.468 12.01424.201 1.00 24.58 7 N ATOM 1781 CA ALA A 226 7.375 12.383 25.607 1.0025.90 6 C ATOM 1782 C ALA A 226 6.004 12.146 26.213 1.00 25.99 6 C ATOM1783 O ALA A 226 5.838 11.618 27.327 1.00 25.98 8 O ATOM 1784 CB ALA A226 7.715 13.872 25.765 1.00 25.74 6 C ATOM 1785 N ARG A 227 4.95912.515 25.474 1.00 26.58 7 N ATOM 1786 CA ARG A 227 3.596 12.321 25.9811.00 28.10 6 C ATOM 1787 C ARG A 227 3.224 10.868 26.163 1.00 27.85 6 CATOM 1788 O ARG A 227 2.332 10.556 26.959 1.00 28.64 8 O ATOM 1789 CBARG A 227 2.621 13.092 25.099 1.00 28.39 6 C ATOM 1790 CG ARG A 2272.948 14.584 25.165 1.00 30.15 6 C ATOM 1791 CD ARG A 227 1.873 15.34324.394 1.00 31.45 6 C ATOM 1792 NE ARG A 227 0.565 15.082 25.010 1.0031.98 7 N ATOM 1793 CZ ARG A 227 0.158 15.732 26.096 1.00 32.26 6 C ATOM1794 NH1 ARG A 227 0.942 16.648 26.653 1.00 32.71 7 N ATOM 1795 NH2 ARGA 227 −1.036 15.444 26.597 1.00 33.16 7 N ATOM 1796 N LEU A 228 3.8999.941 25.489 1.00 27.85 7 N ATOM 1797 CA LEU A 228 3.608 8.523 25.6571.00 27.15 6 C ATOM 1798 C LEU A 228 4.104 8.030 27.004 1.00 27.08 6 CATOM 1799 O LEU A 228 3.607 6.993 27.459 1.00 28.40 8 O ATOM 1800 CB LEUA 228 4.152 7.735 24.466 1.00 27.46 6 C ATOM 1801 CG LEU A 228 3.3077.985 23.198 1.00 26.79 6 C ATOM 1802 CD1 LEU A 228 4.124 7.734 21.9481.00 27.68 6 C ATOM 1803 CD2 LEU A 228 2.054 7.131 23.243 1.00 26.06 6 CATOM 1804 N GLY A 229 5.032 8.721 27.664 1.00 26.34 7 N ATOM 1805 CA GLYA 229 5.492 8.316 28.977 1.00 25.42 6 C ATOM 1806 C GLY A 229 6.9687.972 29.068 1.00 25.21 6 C ATOM 1807 O GLY A 229 7.454 7.608 30.1391.00 25.16 8 O ATOM 1808 N TYR A 230 7.684 8.074 27.957 1.00 24.55 7 NATOM 1809 CA TYR A 230 9.100 7.765 27.925 1.00 24.03 6 C ATOM 1810 C TYRA 230 9.976 8.921 28.400 1.00 24.53 6 C ATOM 1811 O TYR A 230 9.63910.083 28.236 1.00 23.72 8 O ATOM 1812 CB TYR A 230 9.535 7.443 26.4901.00 23.08 6 C ATOM 1813 CG TYR A 230 8.782 6.307 25.841 1.00 22.19 6 CATOM 1814 CD1 TYR A 230 9.031 4.993 26.199 1.00 21.74 6 C ATOM 1815 CD2TYR A 230 7.821 6.548 24.870 1.00 22.54 6 C ATOM 1816 CE1 TYR A 2308.351 3.939 25.610 1.00 22.29 6 C ATOM 1817 CE2 TYR A 230 7.129 5.51224.269 1.00 21.94 6 C ATOM 1818 CZ TYR A 230 7.399 4.212 24.645 1.0022.28 6 C ATOM 1819 OH TYR A 230 6.702 3.191 24.038 1.00 23.27 8 O ATOM1820 N ARG A 231 11.131 8.570 28.974 1.00 25.30 7 N ATOM 1821 CA ARG A231 12.093 9.584 29.398 1.00 25.87 6 C ATOM 1822 C ARG A 231 12.8929.916 28.130 1.00 25.03 6 C ATOM 1823 O ARG A 231 13.687 9.077 27.6971.00 23.97 8 O ATOM 1824 CB ARG A 231 13.050 9.086 30.472 1.00 28.26 6 CATOM 1825 CG ARG A 231 12.355 8.833 31.800 1.00 33.12 6 C ATOM 1826 CDARG A 231 13.307 8.314 32.861 1.00 35.40 6 C ATOM 1827 NE ARG A 23114.391 9.251 33.145 1.00 37.82 7 N ATOM 1828 CZ ARG A 231 15.365 8.96934.000 1.00 39.64 6 C ATOM 1829 NH1 ARG A 231 15.409 7.817 34.651 1.0039.95 7 N ATOM 1830 NH2 ARG A 231 16.330 9.858 34.225 1.00 41.55 7 NATOM 1831 N VAL A 232 12.651 11.094 27.556 1.00 23.31 7 N ATOM 1832 CAVAL A 232 13.362 11.420 26.317 1.00 23.40 6 C ATOM 1833 C VAL A 23214.688 12.125 26.529 1.00 23.66 6 C ATOM 1834 O VAL A 232 14.821 13.08227.290 1.00 23.96 8 O ATOM 1835 CB VAL A 232 12.434 12.208 25.368 1.0023.57 6 C ATOM 1836 CG1 VAL A 232 13.100 12.478 24.023 1.00 23.45 6 CATOM 1837 CG2 VAL A 232 11.125 11.448 25.179 1.00 23.12 6 C ATOM 1838 NILE A 233 15.704 11.612 25.836 1.00 21.72 7 N ATOM 1839 CA ILE A 23317.055 12.151 25.890 1.00 22.61 6 C ATOM 1840 C ILE A 233 17.415 12.65724.490 1.00 21.63 6 C ATOM 1841 O ILE A 233 17.354 11.872 23.540 1.0022.10 8 O ATOM 1842 CB ILE A 233 18.088 11.093 26.327 1.00 22.07 6 CATOM 1843 CG1 ILE A 233 17.693 10.469 27.667 1.00 23.64 6 C ATOM 1844CG2 ILE A 233 19.481 11.712 26.380 1.00 22.58 6 C ATOM 1845 CD1 ILE A233 18.523 9.259 28.056 1.00 22.98 6 C ATOM 1846 N GLU A 234 17.77113.932 24.347 1.00 20.67 7 N ATOM 1847 CA GLU A 234 18.117 14.455 23.0291.00 20.08 6 C ATOM 1848 C GLU A 234 19.629 14.545 22.868 1.00 19.94 6 CATOM 1849 O GLU A 234 20.310 15.075 23.756 1.00 17.71 8 O ATOM 1850 CBGLU A 234 17.534 15.862 22.804 1.00 21.77 6 C ATOM 1851 CG GLU A 23416.017 15.886 22.718 1.00 24.10 6 C ATOM 1852 CD GLU A 234 15.458 17.30622.699 1.00 26.00 6 C ATOM 1853 OE1 GLU A 234 15.131 17.851 21.629 1.0027.63 8 O ATOM 1854 OE2 GLU A 234 15.342 17.889 23.795 1.00 26.36 8 OATOM 1855 N VAL A 235 20.137 14.016 21.767 1.00 18.16 7 N ATOM 1856 CAVAL A 235 21.559 14.027 21.464 1.00 18.73 6 C ATOM 1857 C VAL A 23521.766 14.590 20.059 1.00 19.41 6 C ATOM 1858 O VAL A 235 21.174 14.06619.111 1.00 18.00 8 O ATOM 1859 CB VAL A 235 22.209 12.632 21.529 1.0017.92 6 C ATOM 1860 CG1 VAL A 235 23.665 12.668 21.071 1.00 18.76 6 CATOM 1861 CG2 VAL A 235 22.153 12.052 22.935 1.00 18.57 6 C ATOM 1862 NASP A 236 22.602 15.622 19.913 1.00 19.80 7 N ATOM 1863 CA ASP A 23622.796 16.157 18.547 1.00 19.66 6 C ATOM 1864 C ASP A 236 23.608 15.16617.731 1.00 19.50 6 C ATOM 1865 O ASP A 236 24.700 14.781 18.165 1.0017.44 8 O ATOM 1866 CB ASP A 236 23.469 17.524 18.609 1.00 20.81 6 CATOM 1867 CG ASP A 236 23.594 18.256 17.289 1.00 21.85 6 C ATOM 1868 OD1ASP A 236 23.060 17.829 16.243 1.00 19.75 8 O ATOM 1869 OD2 ASP A 23624.262 19.323 17.297 1.00 22.10 8 O ATOM 1870 N THR A 237 23.106 14.69816.591 1.00 18.51 7 N ATOM 1871 CA THR A 237 23.826 13.749 15.755 1.0018.19 6 C ATOM 1872 C THR A 237 23.990 14.304 14.338 1.00 18.70 6 C ATOM1873 O THR A 237 24.121 13.572 13.353 1.00 20.04 8 O ATOM 1874 CB THR A237 23.142 12.371 15.649 1.00 19.37 6 C ATOM 1875 OG1 THR A 237 21.82012.501 15.059 1.00 19.13 8 O ATOM 1876 CG2 THR A 237 22.981 11.67316.994 1.00 18.54 6 C ATOM 1877 N SER A 238 24.034 15.623 14.197 1.0018.41 7 N ATOM 1878 CA SER A 238 24.144 16.283 12.908 1.00 18.50 6 CATOM 1879 C SER A 238 25.284 15.803 12.037 1.00 18.04 6 C ATOM 1880 OSER A 238 25.122 15.749 10.804 1.00 16.58 8 O ATOM 1881 CB SER A 23824.244 17.804 13.103 1.00 19.29 6 C ATOM 1882 OG SER A 238 25.573 18.17313.435 1.00 20.90 8 O ATOM 1883 N GLU A 239 26.421 15.427 12.596 1.0016.91 7 N ATOM 1884 CA GLU A 239 27.553 14.960 11.786 1.00 17.30 6 CATOM 1885 C GLU A 239 27.290 13.574 11.217 1.00 17.93 6 C ATOM 1886 OGLU A 239 27.825 13.247 10.153 1.00 17.75 8 O ATOM 1887 CB GLU A 23928.848 15.042 12.596 1.00 18.76 6 C ATOM 1888 CG GLU A 239 29.199 16.46413.013 1.00 19.04 6 C ATOM 1889 CD GLU A 239 29.011 17.507 11.926 1.0021.16 6 C ATOM 1890 OE1 GLU A 239 29.815 17.652 10.980 1.00 22.26 8 OATOM 1891 OE2 GLU A 239 27.984 18.210 12.052 1.00 22.83 8 O ATOM 1892 NTYR A 240 26.458 12.789 11.897 1.00 17.97 7 N ATOM 1893 CA TYR A 24026.133 11.449 11.367 1.00 18.50 6 C ATOM 1894 C TYR A 240 25.018 11.56410.344 1.00 17.44 6 C ATOM 1895 O TYR A 240 24.976 10.772 9.391 1.0015.89 8 O ATOM 1896 CB TYR A 240 25.863 10.463 12.505 1.00 18.57 6 CATOM 1897 CG TYR A 240 27.109 10.420 13.386 1.00 17.89 6 C ATOM 1898 CD1TYR A 240 27.177 11.138 14.566 1.00 18.23 6 C ATOM 1899 CD2 TYR A 24028.200 9.662 12.993 1.00 18.13 6 C ATOM 1900 CE1 TYR A 240 28.321 11.09715.354 1.00 18.33 6 C ATOM 1901 CE2 TYR A 240 29.345 9.608 13.764 1.0018.20 6 C ATOM 1902 CZ TYR A 240 29.394 10.330 14.942 1.00 18.65 6 CATOM 1903 OH TYR A 240 30.530 10.292 15.723 1.00 16.42 8 O ATOM 1904 NARG A 241 24.116 12.532 10.490 1.00 18.43 7 N ATOM 1905 CA ARG A 24123.041 12.783 9.530 1.00 19.19 6 C ATOM 1906 C ARG A 241 23.609 13.0298.145 1.00 19.02 6 C ATOM 1907 O ARG A 241 23.073 12.609 7.091 1.0018.91 8 O ATOM 1908 CB ARG A 241 22.165 13.968 9.988 1.00 20.02 6 C ATOM1909 CG ARG A 241 21.087 14.325 8.956 1.00 22.75 6 C ATOM 1910 CD ARG A241 20.057 15.275 9.541 1.00 25.11 6 C ATOM 1911 NE ARG A 241 19.18615.852 8.522 1.00 27.08 7 N ATOM 1912 CZ ARG A 241 19.279 17.033 7.9331.00 29.17 6 C ATOM 1913 NH1 ARG A 241 20.249 17.898 8.224 1.00 29.86 7N ATOM 1914 NH2 ARG A 241 18.371 17.381 7.014 1.00 27.92 7 N ATOM 1915 NLYS A 242 24.774 13.691 8.070 1.00 18.20 7 N ATOM 1916 CA LYS A 24225.480 13.972 6.847 1.00 18.03 6 C ATOM 1917 C LYS A 242 25.857 12.7146.069 1.00 17.62 6 C ATOM 1918 O LYS A 242 25.978 12.777 4.843 1.0017.63 8 O ATOM 1919 CB LYS A 242 26.773 14.769 7.080 1.00 17.22 6 C ATOM1920 CG LYS A 242 26.509 16.211 7.487 1.00 17.00 6 C ATOM 1921 CD LYS A242 27.802 16.864 7.984 1.00 18.03 6 C ATOM 1922 CE LYS A 242 27.53818.306 8.410 1.00 18.91 6 C ATOM 1923 NZ LYS A 242 28.841 18.933 8.8051.00 20.60 7 N ATOM 1924 N ILE A 243 26.077 11.608 6.780 1.00 17.54 7 NATOM 1925 CA ILE A 243 26.426 10.352 6.142 1.00 17.39 6 C ATOM 1926 CILE A 243 25.327 9.323 6.402 1.00 16.97 6 C ATOM 1927 O ILE A 243 25.5838.140 6.634 1.00 16.25 8 O ATOM 1928 CB ILE A 243 27.846 9.837 6.4421.00 17.98 6 C ATOM 1929 CG1 ILE A 243 28.115 9.747 7.943 1.00 18.02 6 CATOM 1930 CG2 ILE A 243 28.873 10.743 5.752 1.00 17.31 6 C ATOM 1931 CD1ILE A 243 29.518 9.288 8.323 1.00 19.90 6 C ATOM 1932 N ASP A 244 24.0769.779 6.355 1.00 15.92 7 N ATOM 1933 CA ASP A 244 22.878 8.966 6.4791.00 16.66 6 C ATOM 1934 C ASP A 244 22.770 8.010 7.653 1.00 16.51 6 CATOM 1935 O ASP A 244 22.238 6.905 7.518 1.00 16.01 8 O ATOM 1936 CB ASPA 244 22.735 8.125 5.185 1.00 19.19 6 C ATOM 1937 CG ASP A 244 22.6648.909 3.893 1.00 21.53 6 C ATOM 1938 OD1 ASP A 244 22.198 10.070 3.9351.00 22.46 8 O ATOM 1939 OD2 ASP A 244 23.079 8.377 2.825 1.00 19.93 8 OATOM 1940 N GLY A 245 23.216 8.429 8.834 1.00 15.82 7 N ATOM 1941 CA GLYA 245 23.132 7.582 10.022 1.00 17.08 6 C ATOM 1942 C GLY A 245 22.5478.366 11.200 1.00 17.92 6 C ATOM 1943 O GLY A 245 22.580 9.599 11.2131.00 19.55 8 O ATOM 1944 N GLY A 246 22.052 7.646 12.190 1.00 18.13 7 NATOM 1945 CA GLY A 246 21.463 8.233 13.381 1.00 18.79 6 C ATOM 1946 CGLY A 246 21.759 7.412 14.639 1.00 18.51 6 C ATOM 1947 O GLY A 24622.697 6.625 14.696 1.00 17.02 8 O ATOM 1948 N VAL A 247 20.900 7.58815.643 1.00 18.26 7 N ATOM 1949 CA VAL A 247 21.028 6.901 16.910 1.0017.02 6 C ATOM 1950 C VAL A 247 20.815 5.397 16.811 1.00 16.78 6 C ATOM1951 O VAL A 247 21.485 4.707 17.571 1.00 14.90 8 O ATOM 1952 CB VAL A247 20.151 7.505 18.013 1.00 17.66 6 C ATOM 1953 CG1 VAL A 247 20.5718.956 18.289 1.00 17.87 6 C ATOM 1954 CG2 VAL A 247 18.659 7.481 17.7121.00 17.27 6 C ATOM 1955 N SER A 248 19.977 4.842 15.928 1.00 15.01 7 NATOM 1956 CA SER A 248 19.850 3.385 15.903 1.00 16.22 6 C ATOM 1957 CSER A 248 21.118 2.779 15.312 1.00 15.38 6 C ATOM 1958 O SER A 24821.620 1.732 15.685 1.00 16.72 8 O ATOM 1959 CB SER A 248 18.649 2.90215.080 1.00 16.96 6 C ATOM 1960 OG SER A 248 18.987 2.881 13.709 1.0018.74 8 O ATOM 1961 N SER A 249 21.689 3.474 14.348 1.00 14.73 7 N ATOM1962 CA SER A 249 22.862 3.102 13.602 1.00 15.13 6 C ATOM 1963 C SER A249 24.132 2.906 14.408 1.00 15.57 6 C ATOM 1964 O SER A 249 24.9652.095 14.023 1.00 14.24 8 O ATOM 1965 CB SER A 249 23.194 4.254 12.6121.00 13.25 6 C ATOM 1966 OG SER A 249 21.956 4.758 12.111 1.00 15.85 8 OATOM 1967 N MET A 250 24.273 3.693 15.460 1.00 15.07 7 N ATOM 1968 CAMET A 250 25.476 3.728 16.266 1.00 15.73 6 C ATOM 1969 C MET A 25025.609 2.735 17.392 1.00 15.38 6 C ATOM 1970 O MET A 250 26.597 2.81218.153 1.00 14.65 8 O ATOM 1971 CB MET A 250 25.652 5.201 16.711 1.0015.84 6 C ATOM 1972 CG MET A 250 26.100 5.999 15.474 1.00 17.65 6 C ATOM1973 SD MET A 250 26.603 7.690 15.880 1.00 20.47 16 S ATOM 1974 CE MET A250 25.035 8.280 16.521 1.00 17.66 6 C ATOM 1975 N SER A 251 24.6601.799 17.531 1.00 14.25 7 N ATOM 1976 CA SER A 251 24.840 0.823 18.6041.00 14.07 6 C ATOM 1977 C SER A 251 24.130 −0.486 18.289 1.00 15.68 6 CATOM 1978 O SER A 251 23.326 −0.563 17.371 1.00 15.01 8 O ATOM 1979 CBSER A 251 24.396 1.316 19.967 1.00 15.16 6 C ATOM 1980 OG SER A 25123.085 1.829 20.089 1.00 13.29 8 O ATOM 1981 N LEU A 252 24.525 −1.48119.063 1.00 14.44 7 N ATOM 1982 CA LEU A 252 23.952 −2.819 19.087 1.0016.14 6 C ATOM 1983 C LEU A 252 23.320 −2.862 20.492 1.00 16.24 6 C ATOM1984 O LEU A 252 23.999 −2.484 21.461 1.00 16.21 8 O ATOM 1985 CB LEU A252 24.942 −3.937 18.943 1.00 16.95 6 C ATOM 1986 CG LEU A 252 25.367−4.646 17.676 1.00 19.53 6 C ATOM 1987 CD1 LEU A 252 24.646 −4.23116.422 1.00 18.10 6 C ATOM 1988 CD2 LEU A 252 26.874 −4.715 17.496 1.0018.43 6 C ATOM 1989 N ARG A 253 22.064 −3.213 20.654 1.00 16.41 7 N ATOM1990 CA ARG A 253 21.324 −3.228 21.898 1.00 16.03 6 C ATOM 1991 C ARG A253 20.722 −4.600 22.196 1.00 17.45 6 C ATOM 1992 O ARG A 253 19.979−5.104 21.360 1.00 16.39 8 O ATOM 1993 CB ARG A 253 20.185 −2.192 21.7641.00 15.49 6 C ATOM 1994 CG ARG A 253 20.690 −0.791 21.468 1.00 13.94 6C ATOM 1995 CD ARG A 253 19.624 0.188 21.007 1.00 13.72 6 C ATOM 1996 NEARG A 253 19.235 −0.096 19.619 1.00 11.97 7 N ATOM 1997 CZ ARG A 25319.854 0.264 18.517 1.00 13.18 6 C ATOM 1998 NH1 ARG A 253 19.299 −0.10517.343 1.00 14.32 7 N ATOM 1999 NH2 ARG A 253 20.975 0.971 18.508 1.0012.64 7 N ATOM 2000 N PHE A 254 21.061 −5.222 23.321 1.00 17.19 7 N ATOM2001 CA PHE A 254 20.571 −6.548 23.650 1.00 17.99 6 C ATOM 2002 C PHE A254 20.654 −6.944 25.125 1.00 19.16 6 C ATOM 2003 O PHE A 254 20.966−6.025 25.938 1.00 17.69 8 O ATOM 2004 CB PHE A 254 21.364 −7.577 22.8121.00 17.71 6 C ATOM 2005 CG PHE A 254 22.853 −7.600 23.036 1.00 18.58 6C ATOM 2006 CD1 PHE A 254 23.435 −8.482 23.926 1.00 18.65 6 C ATOM 2007CD2 PHE A 254 23.676 −6.727 22.348 1.00 17.76 6 C ATOM 2008 CE1 PHE A254 24.810 −8.487 24.124 1.00 19.64 6 C ATOM 2009 CE2 PHE A 254 25.047−6.726 22.528 1.00 20.27 6 C ATOM 2010 CZ PHE A 254 25.624 −7.618 23.4261.00 19.50 6 C TER ATOM 9 C1 CIT L 1 26.383 3.969 4.880 1.00 18.49 6 CATOM 11 O1 CIT L 1 26.445 2.626 4.972 1.00 17.89 8 O ATOM 10 O2 CIT L 126.091 4.486 3.823 1.00 18.49 8 O ATOM 8 C2 CIT L 1 26.629 4.760 6.1421.00 17.64 6 C ATOM 12 N2 CIT L 1 27.235 6.047 5.751 1.00 17.56 7 N ATOM7 C3 CIT L 1 25.309 4.948 6.903 1.00 17.39 6 C ATOM 6 C4 CIT L 1 24.8793.598 7.515 1.00 17.03 6 C ATOM 5 C5 CIT L 1 23.561 3.795 8.251 1.0018.81 6 C ATOM 4 N6 CIT L 1 23.116 2.545 8.863 1.00 18.52 7 N ATOM 2 C7CIT L 1 22.092 2.463 9.708 1.00 19.27 6 C ATOM 3 O7 CIT L 1 21.402 3.40910.078 1.00 18.88 8 O ATOM 1 N7 CIT L 1 21.791 1.229 10.205 1.00 19.31 7N TER ATOM 1 O1 HOH Y 1 29.062 3.474 17.537 1.00 15.96 8 O ATOM 2 O1 HOHY 2 20.323 −3.682 18.259 1.00 20.75 8 O ATOM 3 O1 HOH Y 3 21.445 −2.12416.238 1.00 17.04 8 O ATOM 4 O1 HOH Y 4 33.556 1.521 6.459 1.00 16.87 8O ATOM 5 O1 HOH Y 5 18.912 −4.075 13.865 1.00 15.74 8 O ATOM 6 O1 HOH Y6 16.718 −1.733 19.066 1.00 16.13 8 O ATOM 7 O1 HOH Y 7 32.333 −6.48125.915 1.00 60.29 8 O ATOM 8 O1 HOH Y 8 10.979 −5.361 20.462 1.00 19.408 O ATOM 9 O1 HOH Y 9 13.195 −2.535 17.977 1.00 19.61 8 O ATOM 10 O1 HOHY 10 12.359 −1.563 20.681 1.00 18.63 8 O ATOM 11 O1 HOH Y 11 32.603−3.419 13.213 1.00 20.01 8 O ATOM 12 O1 HOH Y 12 21.509 −4.522 14.6461.00 13.91 8 O ATOM 13 O1 HOH Y 13 15.075 3.567 14.148 1.00 18.95 8 OATOM 14 O1 HOH Y 14 13.956 1.524 19.398 1.00 17.14 8 O ATOM 15 O1 HOH Y15 21.003 −6.055 16.919 1.00 19.00 8 O ATOM 16 O1 HOH Y 16 32.167 8.29432.298 1.00 19.00 8 O ATOM 17 O1 HOH Y 17 35.589 −7.181 18.133 1.0020.66 8 O ATOM 18 O1 HOH Y 18 22.621 3.599 34.009 1.00 20.96 8 O ATOM 19O1 HOH Y 19 30.923 −1.511 12.305 1.00 20.05 8 O ATOM 20 O1 HOH Y 2035.724 3.555 13.449 1.00 20.95 8 O ATOM 21 O1 HOH Y 21 12.062 −7.71321.688 1.00 23.83 8 O ATOM 22 O1 HOH Y 22 15.011 −22.594 9.691 1.0021.01 8 O ATOM 23 O1 HOH Y 23 2.643 −7.183 10.821 1.00 26.23 8 O ATOM 24O1 HOH Y 24 15.066 1.849 16.396 1.00 19.85 8 O ATOM 25 O1 HOH Y 2515.126 −3.402 16.116 1.00 19.57 8 O ATOM 26 O1 HOH Y 26 32.656 2.9153.918 1.00 19.80 8 O ATOM 27 O1 HOH Y 27 28.202 −4.029 26.810 1.00 20.308 O ATOM 28 O1 HOH Y 28 16.425 8.911 9.683 1.00 20.68 8 O ATOM 29 O1 HOHY 29 13.191 −0.276 16.179 1.00 21.08 8 O ATOM 30 O1 HOH Y 30 24.46813.242 26.524 1.00 23.31 8 O ATOM 31 O1 HOH Y 31 13.588 −18.049 4.9601.00 20.13 8 O ATOM 32 O1 HOH Y 32 35.490 −6.520 22.597 1.00 25.94 8 OATOM 33 O1 HOH Y 33 24.980 20.832 15.135 1.00 23.73 8 O ATOM 34 O1 HOH Y34 17.830 −4.296 19.108 1.00 21.03 8 O ATOM 35 O1 HOH Y 35 19.902 10.37415.090 1.00 21.32 8 O ATOM 36 O1 HOH Y 36 14.598 16.681 19.217 1.0022.22 8 O ATOM 37 O1 HOH Y 37 38.054 3.952 21.350 1.00 21.27 8 O ATOM 38O1 HOH Y 38 5.734 −7.825 7.432 1.00 20.54 8 O ATOM 39 O1 HOH Y 39 18.556−11.765 −3.800 1.00 22.03 8 O ATOM 40 O1 HOH Y 40 20.336 16.185 12.7541.00 26.13 8 O ATOM 41 O1 HOH Y 41 17.638 −6.870 17.851 1.00 27.88 8 OATOM 42 O1 HOH Y 42 20.695 16.322 15.604 1.00 21.48 8 O ATOM 43 O1 HOH Y43 10.008 6.471 2.603 1.00 26.59 8 O ATOM 44 O1 HOH Y 44 27.263 1.93131.447 1.00 22.23 8 O ATOM 45 O1 HOH Y 45 9.253 21.264 13.505 1.00 28.258 O

TABLE IV Functionally important residues in PaDDAH and the theirequivalents in other superfamily members. PaDDAW DDAHI DDAHII AGAT IPATDEIM  60 D* L Y H N*  63 F/Y L M C F*  65 E G R R R*  66 D D D D D/E Notsame contacts in PA, AT  85 R R R R R* paired with 66  88 E* E E E E*114+ D/E D D D E* 117 D* D D N D* 132 R* W V S R* 161 L S M T M* 162+ H*H H H H* 164 K R D D D 165## T/S A A S T 201## AYSIM A L I FYMH 249+ C*C at+2 C C C*+catalytic##contact residue in AT, but not in DDAH*conserved in known members of family

1. Use of the structural coordinates obtainable by subjecting a crystalcomprising a dimethylarginine dimethylaminohydrolase (DDAH) or afragment thereof or an arginine deiminase (DI) or a fragment thereof toX-ray diffraction measurements and deducing the structural coordinatesfrom the diffraction measurements, to identify, screen, characterise,design or modify a chemical entity.
 2. Use according to claim 1, whereinthe DDAH is a bacterial DDAH.
 3. Use according to claim 2, wherein thebacterial DDAH is Pseudomonas aeruginosa DDAH (PaDDAH).
 4. Use accordingto claim 1, wherein the DI is a Pseudonionas aeruginosa DI (PaDI). 5.Use according to any one of the preceding claims, wherein the DDAH or DIis an inactive mutant of a wild-type DDAH or DI.
 6. Use according toclaim 5, wherein the DDAH or DI has been rendered inactive by mutatingan amino acid equivalent to E114, H162 or C249 of PaDDAH or PaDI to adifferent amino acid.
 7. Use according to claim 6, wherein the differentamino acid is alanine or a sterically similar amino acid.
 8. Useaccording to any one of claims 5 to 7, wherein the crystal is a crystalof the DDAH or DI bound to a substrate or product.
 9. Use of thestructural coordinates set out in Table II to identify, screen,characterise, design or modify a chemical entity.
 10. Use according toany one of the preceding claims, wherein the chemical entity is amodified DDAH or DI.
 11. Use according to claim 10, wherein the modifiedDDAH or DI is inactive.
 12. Use according to any one of claims 1 to 9,wherein the chemical entity binds to a DDAH or a DI.
 13. Use accordingto claim 12, wherein the chemical entity is an inhibitor or an activatorof a DDAH or a DI.
 14. A chemical entity as defined in any one of thepreceding claims.
 15. A chemical entity as defined in claim 14 for usein a method for treatment of the human or animal body by therapy.
 16. Achemical entity according to claim 15 for use in a method for treatmentof a condition in which abnormal nitric oxide metabolism is implicatedor for use in a method for treatment of a bacterial infection.
 17. Amethod for identifying, screening, characterising or designing achemical entity which is a modified DDAH or DI or binds to a DDAH or DI,which method comprises comparing a structural model of the DDAH or DIwith a structural model for said chemical entity, and therebydetermining whether said chemical entity is likely to be a modified DDAHor DI or bind to the DDAH or DI, wherein said structural model of theDDAH is derived from structural coordinates determined by subjecting toX-Ray diffraction measurements a crystal comprising a DDAH or DI asdefined in any one of claims 1 to 8 or a fragment thereof.
 18. Achemical entity identified by a method according to claim
 17. 19. Achemical entity according to claim 18 for use in a method for treatmentof the human or animal body by therapy.
 20. A chemical entity accordingto claim 19 for use in a method for treatment of a condition in whichabnormal nitric oxide metabolism is implicated or for use in a methodfor treatment of a bacterial infection.
 21. A pharmaceutical compositioncomprising a chemical entity as defined in claim 14 or a chemical entityaccording to claim 18 and a pharmaceutically acceptable carrier ordiluent.
 22. A method for treating a host suffering from a condition inwhich abnormal nitric oxide metabolism is implicated or a bacterialinfection, which method comprises administering to the host atherapeutically effective amount of a chemical entity as defined inclaim 14 or a chemical entity according to claim
 18. 23. A method foridentifying the presence or absence of an asymmetrically methylatedarginine derivative in a sample, which method comprises: (a) contactingthe sample with a DDAH as defined in any one of claims 5 to 7, amodified DDAH as defined in claim 10 or 11 or a modified DDAH identifiedby a method according to claim 17; and (b) determining whether the DDAHbinds to an asymmetrically methylated arginine derivative.
 24. A crystalcomprising a DDAH or a fragment thereof or a DI or a fragment thereof.25. A crystal according to claim 24, wherein the DDAH is a DDAH asdefined in any one of claims 1 to 3 or 5 to
 8. 26. A crystal accordingto claim 24, wherein the DI is a DI as defined in any one of claims 1 or4 to
 8. 27. A method for preparing a crystal, which method comprisesforming a crystal of a substance comprising a DDAH as defined in any oneof claims 1 to 3 or 5 to
 8. 28. A method for preparing a crystal, whichmethod comprises forming a crystal of a substance comprising a DI asdefined in any one of claims 1 or 4 to
 8. 29. A DDAH or DI as defined inany one of claims 5 to
 8. 30. A machine readable data storage mediumcomprising a data storage material encoded with machine readable datawhich when read by an appropriate machine is capable of displaying athree dimensional representation of a crystal as defined in claim 24 to26.